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FP0

Summary
Name:(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
Synonyms:15-decalonectrin
Formula:C17 H24 O5
Formal charge:0
Formula weight:308.369 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C
SMILES_CANONICALCACTVS3.341CC(=O)O[C@@H]1C[C@]2(C)[C@@]3(CO)CCC(=C[C@H]3O[C@H]1[C@@]24CO4)C
SMILESCACTVS3.341CC(=O)O[CH]1C[C]2(C)[C]3(CO)CCC(=C[CH]3O[CH]1[C]24CO4)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO
SMILESOpenEye OEToolkits1.5.0CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO
InChIInChI1.03InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyInChI1.03DFPPNUOWRKIOKO-KWRZAIAESA-N

223532

건을2024-08-07부터공개중

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