记录说明
(2R,4aS,5R,6aR,6bR,8aR,10R,12aR,14aS,14bR)-10-hydroxy-2,5,6b,9,9,12a,14a-heptamethyl-3,4,4a,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid 收自 NPASS。关联生物包括 Rhodoglossum japonicum。
C30H48O3
式量由分子式和标准同位素质量计算,456.360345。
(2R,4aS,5R,6aR,6bR,8aR,10R,12aR,14aS,14bR)-10-hydroxy-2,5,6b,9,9,12a,14a-heptamethyl-3,4,4a,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid 收自 NPASS。关联生物包括 Rhodoglossum japonicum。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H]1C=C2[C@@](C)(CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)[C@@H]4CC[C@@]23C)O)[C@@H]2C[C@@](C)(CC[C@@H]12)C(=O)O
InChIKey
SQWGTCZAKRLFNW-FASGVRSGSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2R,4aS,5R,6aR,6bR,8aR,10R,12aR,14aS,14bR)-10-hydroxy-2,5,6b,9,9,12a,14a-heptamethyl-3,4,4a,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid