记录说明
(2S,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxa 收自 NPASS。关联生物包括 Hydroclathrus tenuis。
C41H62O13
式量由分子式和标准同位素质量计算,762.419042。
(2S,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxa 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@@H]1CC[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)OC)OC)C1=O
InChIKey
XKWWUEUBVBEWMG-DDKWFHBYSA-N
IUPAC
(2S,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one