Name: Ergostenol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213890928
Cas No:632-32-6
常用名:Ergostenol
别名:Ergost-8(14)-en-3beta-ol, delta8(14)-Ergostenol, alpha-Ergostenol
别名:Ergost-8(14)-en-3beta-ol, delta8(14)-Ergostenol, alpha-Ergostenol
IUPAC:(1R,5aS,7S,9aS,9bR,11aR)-1-[(2R,5S)-7-{[(1R,5aS,7S,9aS,9bR,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,5aS,7S,9aS,9bR,11aR)-1-[(2R,5S)-7-{[(1R,5aS,7S,9aS,9bR,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:GBXUKGKTXDECNJ-AMFPAKNNSA-N

分子式:C56H94O2
分子量:799.366
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |c:12,45|
SMILES:CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |c:12,45|

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