记录说明
(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-3,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carbal 收自 NPASS。关联生物包括 Laurencia rigida。
C31H50O4
式量由分子式和标准同位素质量计算,486.370910。
(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-3,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carbal 收自 NPASS。关联生物包括 Laurencia rigida。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C([C@H]([C@@H]4[C@@]5(C)CC[C@@H]([C@@](C)(C=O)[C@@H]5CC[C@@]34C)O)OC)O)[C@@H]2[C@H]1C
InChIKey
HLUVBIFRJRAYSU-ZWJYVEHLSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-3,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carbaldehyde