记录说明
(1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1. 收自 NPASS。关联生物包括 Spermatochnus paradoxus。
C29H40O14
式量由分子式和标准同位素质量计算,612.241806。
(1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1. 收自 NPASS。关联生物包括 Spermatochnus paradoxus。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(C)c1c2c(cc(=O)o1)[C@@]1(C)[C@@H](CC[C@@]3(C)[C@@H]1[C@@H]([C@@H]2O[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)OC3=O)O
InChIKey
HYVIWWSJCWGQCA-ZMSPUXAESA-N
IUPAC
(1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione