记录说明
(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxym 收自 NPASS。关联生物包括 Hydroclathrus tenuis。
C48H74O19
式量由分子式和标准同位素质量计算,954.482430。
(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxym 收自 NPASS。关联生物包括 Hydroclathrus tenuis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H]1C(=CC(=O)O1)[C@@]1(C)CC[C@H]2[C@@H](CC=C3C[C@H]([C@@H](C[C@]23C)O)O[C@H]2C[C@@H]([C@@H]([C@@H](C)O2)O[C@H]2C[C@@H]([C@@H]([C@H](C)O2)O[C@H]2C[C@@H]([C@@H]([C@@H](C)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)OC)OC)OC)C1=O
InChIKey
UODGLRPIXDWIGM-ZACZWFTNSA-N
IUPAC
(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-oct