记录说明
[(1S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-17-[(2S,3R,5R)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant 收自 NPASS。关联生物包括 Bostrychia scorpioides。
C30H48O7
式量由分子式和标准同位素质量计算,520.340004。
[(1S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-17-[(2S,3R,5R)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant 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[C@@H]1OC(=O)C)C[C@H]3O)[C@@H](C[C@](C)(C(C)(C)O)O)O
InChIKey
LENKRKAUGZSJTK-ZPJIYTNMSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(1S,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-10,13-dimethyl-3-oxo-17-[(2S,3R,5R)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate