记录说明
(7R,9S,10R)-10-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione 收自 NPASS。关联生物包括 Halimeda scabra。
C28H33NO10
式量由分子式和标准同位素质量计算,543.210446。
(7R,9S,10R)-10-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione 收自 NPASS。关联生物包括 Halimeda scabra。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC[C@@]1(C[C@H](c2c(c(c3c(C(=O)c4c(cccc4O)C3=O)c2O)O)[C@H]1O[C@@H]1C[C@H]([C@H]([C@@H](C)O1)O)N(C)C)O)O
InChIKey
KYKINCMQPGDGSM-DZVVCTOSSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(7R,9S,10R)-10-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione