记录说明
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy- 收自 NPASS。关联生物包括 Ecklonia cava。
C59H74O34
式量由分子式和标准同位素质量计算,1326.406149。
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy- 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
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]1[C@@H]([C@@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)O[C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@]1(COC(=O)/C=C/c2ccc(c(c2)OC)O)[C@H]([C@@H]([C@@H](CO)O1)O)OC(=O)c1ccccc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O
InChIKey
KCGWRMZNGGOXKP-DVNJQKDJSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-