记录说明
(3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-14-hydroxy-13-methyl-17-(5 收自 NPASS。关联生物包括 Dictyopteris acrostichoides。
C35H52O14
式量由分子式和标准同位素质量计算,696.335706。
(3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-14-hydroxy-13-methyl-17-(5 收自 NPASS。关联生物包括 Dictyopteris acrostichoides。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1CC[C@@]2(C=O)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1)O)O
InChIKey
OWJGPKODAQRZIX-WGALMZEGSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde