记录说明
(7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy]-9 收自 NPASS。关联生物包括 Halimeda scabra。
C60H88N2O25
式量由分子式和标准同位素质量计算,1236.567616。
(7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy]-9 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(ccc(c4C3=O)O)O)c2O)O)[C@H]1O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O)O)O)N(C)C)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O)O)O)N(C)C)O
InChIKey
BUFDUWWSTPPVQS-IWUUEIEJSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione