记录说明
(7R,8R,9R,10S,13R,14R,17S)-7-hydroxy-17-[(1S)-1-[(2R,4S)-4-hydroxy-4,5,5-trimethyloxolan-2-yl]ethyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-on 收自 NPASS。关联生物包括 Bostrychia scorpioides。
C28H42O4
式量由分子式和标准同位素质量计算,442.308310。
(7R,8R,9R,10S,13R,14R,17S)-7-hydroxy-17-[(1S)-1-[(2R,4S)-4-hydroxy-4,5,5-trimethyloxolan-2-yl]ethyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-on 收自 NPASS。关联生物包括 Bostrychia scorpioides。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@@H]([C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]12C)[C@]1(C)C=CC(=O)C=C1C[C@H]3O)[C@H]1C[C@@](C)(C(C)(C)O1)O
InChIKey
YOFJICCEYZGYDM-LNKOTQQESA-N
CAS:这里用的两张来源表里没有。
IUPAC
(7R,8R,9R,10S,13R,14R,17S)-7-hydroxy-17-[(1S)-1-[(2R,4S)-4-hydroxy-4,5,5-trimethyloxolan-2-yl]ethyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one