记录说明
[(1S,4S,5R,8S,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate 收自 NPASS。关联生物包括 Micromonas pusilla、Alaria crispa。
C32H48O5
式量由分子式和标准同位素质量计算,512.350175。
主类群是褐藻。同一结构还出现在绿藻。类群按来源记录投票。
[(1S,4S,5R,8S,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate 收自 NPASS。关联生物包括 Micromonas pusilla、Alaria crispa。
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]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC(=O)[C@]24[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]32C)C(=O)O4)C1(C)C
InChIKey
CWTOUABHZIFLIH-MKGLWHDGSA-N
IUPAC
[(1S,4S,5R,8S,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate