记录说明
(3S,5R,7S,8S,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,16-dione 收自 NPASS。关联生物包括 Laurencia claviformis。
C19H28O4
式量由分子式和标准同位素质量计算,320.198759。
(3S,5R,7S,8S,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,16-dione 收自 NPASS。关联生物包括 Laurencia claviformis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@]12CC(=O)C[C@H]2[C@@H]2[C@H](C[C@H]3C[C@H](CC[C@]3(C)[C@H]2C(=O)C1)O)O
InChIKey
WNLTXJGYAZRERY-YUGBDXPCSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,5R,7S,8S,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,16-dione