记录说明
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methy 收自 NPASS。关联生物包括 Hydroclathrus tenuis。
C40H60O14
式量由分子式和标准同位素质量计算,764.398307。
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methy 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
Cc1c(cco1)[C@]1(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)OC)O)OC)C1=O)O
InChIKey
OCEXOAWTZQOMCE-MLWUSFRBSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one