记录说明
[(2R,3R,4aR,6aS,6aS,6bS,8aS,12aS,14aS,14bR)-3-acetyloxy-4,4,6a,6b,10,10,12a,14b-octamethyl-9-oxo-2,3,4a,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydro-1H-picen-2-yl] acetate 收自 NPASS。关联生物包括 Schizymenia dubyi。
C34H54O5
式量由分子式和标准同位素质量计算,542.397125。
[(2R,3R,4aR,6aS,6aS,6bS,8aS,12aS,14aS,14bR)-3-acetyloxy-4,4,6a,6b,10,10,12a,14b-octamethyl-9-oxo-2,3,4a,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydro-1H-picen-2-yl] acetate 收自 NPASS。关联生物包括 Schizymenia dubyi。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@]4(C)CCC(C)(C)C(=O)[C@H]4CC[C@]32C)C(C)(C)[C@H]1OC(=O)C
InChIKey
JPJFKTMVQAMLMW-UUTGAXQJSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(2R,3R,4aR,6aS,6aS,6bS,8aS,12aS,14aS,14bR)-3-acetyloxy-4,4,6a,6b,10,10,12a,14b-octamethyl-9-oxo-2,3,4a,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydro-1H-picen-2-yl] acetate