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17M

Summary
Name:17-METHYL-17-ALPHA-DIHYDROEQUILENIN
Formula:C19 H22 O2
Formal charge:0
Formula weight:282.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(13alpha,17beta)-17-methylestra-1(10),2,4,6,8-pentaene-3,17-diol
OpenEye OEToolkits1.5.0(13S,14S,17R)-13,17-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthrene-3,17-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc2ccc1c3c(ccc1c2)C4CCC(O)(C4(CC3)C)C
SMILES_CANONICALCACTVS3.341C[C@@]1(O)CC[C@H]2c3ccc4cc(O)ccc4c3CC[C@]12C
SMILESCACTVS3.341C[C]1(O)CC[CH]2c3ccc4cc(O)ccc4c3CC[C]12C
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O
SMILESOpenEye OEToolkits1.5.0CC12CCc3c4ccc(cc4ccc3C1CCC2(C)O)O
InChIInChI1.03InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1
InChIKeyInChI1.03FQMQOMRDADWGJJ-GBESFXJTSA-N

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건을2024-07-17부터공개중

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