记录说明
(3S,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenan 收自 NPASS。关联生物包括 Laurencia perforata。
C30H52O4
式量由分子式和标准同位素质量计算,476.386560。
(3S,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenan 收自 NPASS。关联生物包括 Laurencia perforata。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC1(C)[C@H]2CC[C@]3(C)[C@H](C[C@H]([C@@H]4[C@H](CC[C@@]34C)[C@]3(C)CC[C@@H](C(C)(C)O)O3)O)[C@@]2(C)CC[C@@H]1O
InChIKey
DOAJFZJEGHSYOI-GWHHKJNDSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol