记录说明
(2S,3R,4S,4aS,6aR,6bR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic aci 收自 NPASS。关联生物包括 Chondrus yendoi、Aeodes ulvoidea。
C30H46O7
式量由分子式和标准同位素质量计算,518.324354。
(2S,3R,4S,4aS,6aR,6bR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic aci 收自 NPASS。关联生物包括 Chondrus yendoi、Aeodes ulvoidea。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC1(C)CC[C@@]2(CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)C[C@@H]([C@@H]([C@](C)([C@H]5CC[C@@]34C)C(=O)O)O)O)[C@@H]2C1)C(=O)O
InChIKey
VGTALXLMFZXQSK-RESWFBSWSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2S,3R,4S,4aS,6aR,6bR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid