记录说明
(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Pterocladiella capillacea、Ecklonia arborea。
C29H50O
式量由分子式和标准同位素质量计算,414.386166。
主类群是褐藻。同一结构还出现在红藻。类群按来源记录投票。
(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Pterocladiella capillacea、Ecklonia arborea。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)C(C)C
InChIKey
KZJWDPNRJALLNS-KHFGOMEOSA-N
IUPAC
(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol