记录说明
(7R,8R,9S,10R,13R,14R,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3S,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclop 收自 NPASS。关联生物包括 Bostrychia scorpioides。
C30H44O5
式量由分子式和标准同位素质量计算,484.318875。
(7R,8R,9S,10R,13R,14R,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3S,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclop 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@]2(C)C(C)(C)O[C@](C)(O1)O2
InChIKey
UAMNQQSQGZMOGV-ZUBNPIMFSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(7R,8R,9S,10R,13R,14R,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3S,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one