记录说明
(E)-4-[(3S,4R)-3-[(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxyoxolan-2-yl]oxy-4-hydroxy-2,6,6-trimethylcyclohexe 收自 NPASS。关联生物包括 Cystoseira algeriensis。
C24H38O12
式量由分子式和标准同位素质量计算,518.236327。
(E)-4-[(3S,4R)-3-[(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxyoxolan-2-yl]oxy-4-hydroxy-2,6,6-trimethylcyclohexe 收自 NPASS。关联生物包括 Cystoseira algeriensis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=O)/C=C/C1=C(C)[C@@H]([C@@H](CC1(C)C)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O)O1)O)O[C@H]1[C@@H]([C@@](CO)(CO1)O)O
InChIKey
OGEJHRVWARVEDO-XLQTULRKSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(E)-4-[(3S,4R)-3-[(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxyoxolan-2-yl]oxy-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one