记录说明
(1S,2R,4S,6R,7S,8R,9R,12S,13S,16S,18S)-16-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4R,5S,6S)-4-[(2R,3S,4R,5S)-3-[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2- 收自 NPASS。关联生物包括 Rhodella reticulata。
C62H100O32
式量由分子式和标准同位素质量计算,1356.619771。
(1S,2R,4S,6R,7S,8R,9R,12S,13S,16S,18S)-16-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4R,5S,6S)-4-[(2R,3S,4R,5S)-3-[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2- 收自 NPASS。关联生物包括 Rhodella reticulata。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C=C(CC[C@@]1([C@@H](C)[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](C(=O)C[C@]5(C)[C@H]4CC[C@@]23C)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](CO)O2)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](CO)O2)O)O[C@@H]2[C@H]([C@@H]([C@H](CO2)O)O)O[C@@H]2[C@H]([C@@H]([C@H](CO2)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)O)O)O)O1)OC)CO[C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O
InChIKey
DSGPEDWMSPTSDZ-ZQRAJLKXSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(1S,2R,4S,6R,7S,8R,9R,12S,13S,16S,18S)-16-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4R,5S,6S)-4-[(2R,3S,4R,5S)-3-[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymeth