记录说明
[(1S,2S,3R,4aS,4bR,6aS,7S,10aS,10bR,12R,12aS)-2-acetyl-7-ethyl-1-formyl-12-hydroxy-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] (3S)-3-hy 收自 NPASS。关联生物包括 Calothrix brevissima。
C32H52O6
式量由分子式和标准同位素质量计算,532.376389。
[(1S,2S,3R,4aS,4bR,6aS,7S,10aS,10bR,12R,12aS)-2-acetyl-7-ethyl-1-formyl-12-hydroxy-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] (3S)-3-hy 收自 NPASS。关联生物包括 Calothrix brevissima。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC[C@@H](CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4[C@@](C)(CC)CCC[C@]4(C)[C@H]3C[C@H]([C@]2(C)[C@@H](C=O)[C@@H]1C(=O)C)O)O
InChIKey
WSRCYAVUDSOXNB-ZDYJGQIFSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(1S,2S,3R,4aS,4bR,6aS,7S,10aS,10bR,12R,12aS)-2-acetyl-7-ethyl-1-formyl-12-hydroxy-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] (3S)-3-hydroxypentanoate