记录说明
(2S,4aR,6aR,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid 收自 NPASS。关联生物包括 Plocamium corallorhiza。
C30H46O5
式量由分子式和标准同位素质量计算,486.334525。
(2S,4aR,6aR,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid 收自 NPASS。关联生物包括 Plocamium corallorhiza。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC1(C)[C@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@H]5C[C@](C)(CC[C@@]5(CC[C@@]34C)CO)C(=O)O)[C@@]2(C)CC[C@@H]1O
InChIKey
CWCIIDUCIPKOCX-QRRBEILSSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2S,4aR,6aR,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid