记录说明
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-3-[3-[4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-metho 收自 NPASS。关联生物包括 Ecklonia cava。
C50H60O26
式量由分子式和标准同位素质量计算,1076.337282。
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-3-[3-[4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-metho 收自 NPASS。关联生物包括 Ecklonia cava。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc1ccc(C=CC(=O)O[C@H]2[C@@H]([C@@H](CO)O[C@@]2(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](COC(=O)c3ccccc3)O2)OC(=O)c2ccccc2)O)O)O)cc1OC)OC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
InChIKey
IXFWQFYGPMZOMP-YRFSVXAQSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-3-[3-[4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyloxy]-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3-benzoyloxy-4,5-dihydroxyoxan-2-yl]methyl ben