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A1CHN

A1CHN
Name:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
Formula:	C15 H16 F6 N4 O2 S
SMILES:	FC(F)(F)CCC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F
InChi:	InChI=1S/C15H16F6N4O2S/c1-27-7-10-23-25-9(12(15(19,20)21)22-13(25)28-10)6-24-5-8(4-11(24)26)2-3-14(16,17)18/h8H,2-7H2,1H3/t8-/m0/s1
Definition date:	2025-06-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one

A1CHO

A1CHO
Name:	(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Formula:	C24 H27 N5 O3
SMILES:	Nc1nc2cc(CCC3CC(C(O)C3O)n3ccc4cncnc43)c(CCO)cc2cc1
InChi:	InChI=1S/C24H27N5O3/c25-21-4-3-16-9-15(6-8-30)14(10-19(16)28-21)1-2-17-11-20(23(32)22(17)31)29-7-5-18-12-26-13-27-24(18)29/h3-5,7,9-10,12-13,17,20,22-23,30-32H,1-2,6,8,11H2,(H2,25,28)/t17-,20+,22+,23-/m0/s1
Definition date:	2025-06-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

A1CN6

A1CN6
Name:	6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H25 F2 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCCCC2)cc(F)c1F
InChi:	InChI=1S/C20H25F2N3O/c1-14-9-16(24-19(23)10-14)13-26-18-12-15(11-17(21)20(18)22)5-8-25-6-3-2-4-7-25/h9-12H,2-8,13H2,1H3,(H2,23,24)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN7

A1CN7
Name:	6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C18 H20 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)cc(F)c1F
InChi:	InChI=1S/C18H20F3N3O/c1-11-4-14(23-17(22)5-11)10-25-16-7-12(6-15(20)18(16)21)2-3-24-8-13(19)9-24/h4-7,13H,2-3,8-10H2,1H3,(H2,22,23)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN8

A1CN8
Name:	6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H24 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)CC2)cc(F)c1F
InChi:	InChI=1S/C20H24F3N3O/c1-13-8-16(25-19(24)9-13)12-27-18-11-14(10-17(22)20(18)23)2-5-26-6-3-15(21)4-7-26/h8-11,15H,2-7,12H2,1H3,(H2,24,25)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN9

A1CN9
Name:	6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H23 F4 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)(F)CC2)cc(F)c1F
InChi:	InChI=1S/C20H23F4N3O/c1-13-8-15(26-18(25)9-13)12-28-17-11-14(10-16(21)19(17)22)2-5-27-6-3-20(23,24)4-7-27/h8-11H,2-7,12H2,1H3,(H2,25,26)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine

A1COA

A1COA
Name:	6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C19 H25 F2 N3 O
SMILES:	Cc1cc(COc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1
InChi:	InChI=1S/C19H25F2N3O/c1-4-24(5-2)7-6-14-10-16(20)19(21)17(11-14)25-12-15-8-13(3)9-18(22)23-15/h8-11H,4-7,12H2,1-3H3,(H2,22,23)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine

A1COK

A1COK
Name:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine
Formula:	C20 H24 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)C2)cc(F)c1F
InChi:	InChI=1S/C20H24F3N3O/c1-13-7-16(25-19(24)8-13)12-27-18-10-14(9-17(22)20(18)23)4-6-26-5-2-3-15(21)11-26/h7-10,15H,2-6,11-12H2,1H3,(H2,24,25)/t15-/m0/s1
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine

A1EOF

A1EOF
Name:	[3-(phenylmethyl)imidazol-4-yl]methanimine
Formula:	C11 H11 N3
SMILES:	N=Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H11N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2/b12-6+
Definition date:	2025-04-01
Last modified:	2025-09-03
Release date:	2025-09-03
Identifier:	[3-(phenylmethyl)imidazol-4-yl]methanimine

U73

U73
Name:	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
Formula:	C13 H15 N3 O S
SMILES:	O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2
InChi:	InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
Definition date:	2005-06-06
Last modified:	2025-09-01
Identifier:	N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide

A1EKV

A1EKV
Name:	3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide
Formula:	C18 H16 Cl2 F3 N3 O
SMILES:	Cn1nc(C(F)F)c(c1F)C(=O)N(CC(=C)c2ccc(Cl)cc2Cl)C3CC3
InChi:	InChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3
Definition date:	2025-01-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide

A1H4U

A1H4U
Name:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
Formula:	C27 H21 F3 N6 O
SMILES:	Cc1ccc(cc1C#Cc2cnc(NC3CC3)nc2)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5ccnc5
InChi:	InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)
Definition date:	2024-02-16
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide

A1I1Y

A1I1Y
Name:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide
Formula:	C27 H25 F N6 O
SMILES:	CCc1ccccc1C(=O)Nc2n[nH]c3c(C)c(F)c(cc23)C4C(=C(C)N(C)C(=C4C#N)C)C#N
InChi:	InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)
Definition date:	2025-02-14
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide

A1I5A

A1I5A
Name:	quinaprilat
Formula:	C23 H26 N2 O5
SMILES:	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O
InChi:	InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
Synonyms:	(3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Definition date:	2025-03-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid

A1I9U

A1I9U
Name:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Formula:	C9 H14 O8
SMILES:	C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O
InChi:	InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4+,5-,6-,7+,9-/m0/s1
Definition date:	2025-04-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

A1IEF

A1IEF
Name:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea
Formula:	C19 H27 N7 O
SMILES:	CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O
InChi:	InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
Definition date:	2024-06-13
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea

A1IF9

A1IF9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C20 H28 N10 O20 P4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Definition date:	2024-06-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

A1IFS

A1IFS
Name:	(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide
Formula:	C17 H27 N5 O3 S
SMILES:	CNC(=O)[CH]1CCCN1c2nc(C)cc(n2)N(C)C[CH]3CC[S](=O)(=O)C3
InChi:	InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
Definition date:	2024-06-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S})-1-[4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-~{N}-methyl-pyrrolidine-2-carboxamide

A1IMO

A1IMO
Name:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione
Formula:	C25 H34 Cl N5 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(OC4CC(C)(C)N(O)C(C)(C)C4)nc12
InChi:	InChI=1S/C25H34ClN5O5/c1-24(2)13-18(14-25(3,4)31(24)35)36-22-27-20-19(30(22)15-16-7-9-17(26)10-8-16)21(33)29(11-6-12-32)23(34)28(20)5/h7-10,18,32,35H,6,11-15H2,1-5H3
Definition date:	2024-08-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione

A1IX3

A1IX3
Name:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C22 H27 N O4
SMILES:	OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1
InChi:	InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26)
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXY

A1IXY
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H29 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3
InChi:	InChI=1S/C28H29NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h6-14,22,24H,1-5,15-17H2,(H,29,30)(H,31,32)/t24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXZ

A1IXZ
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H27 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)N[CH]5CCCC=C5)cc4c3
InChi:	InChI=1S/C28H27NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h2,4,6-14,22,24H,1,3,5,15-17H2,(H,29,30)(H,31,32)/t22-,24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1JME

A1JME
Name:	Castasterone
Formula:	C28 H48 O5
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
Synonyms:	(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

A1JMF

A1JMF
Name:	Typhasterol
Formula:	C28 H48 O4
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21+,22-,23+,25+,26+,27+,28+/m0/s1
Synonyms:	(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

A1JMI

A1JMI
Name:	6-deoxocastasterone
Formula:	C28 H50 O4
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
Synonyms:	(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol

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