辛伐他汀酰基β-D-葡糖苷酸(463962-56-3)名称与标识符
名称
中文别名:
1-O-[(3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-二甲基丁酰基)氧基]-2,6-二甲基-1,2,6,7,8,8a-六氢-1-萘基}-3,5-二羟基庚酰]-beta-L-甘油-吡喃己糖酸;钾(1 -羰- 4 -哌啶基)甲基三氟硼酸;辛伐他汀酰基-Β-D-葡糖苷酸;辛伐他汀酰基β-D-葡糖苷酸;
英文别名:
Simvastatin Acyl-b-D-glucuronide;Simvastatin Acyl-β-D-glucuronide;Simvastatin Acyl-β-D;SIMVASTATIN ACYL-ك-D-GLUCURONIDE;(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;Simvastatin Acyl-beta-D-glucuronide;463962-56-3;1-[(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate] beta-D-Glucopyranuronic Acid;Simvastatin Acyl- beta -D-glucuronide;
标识符
InChIKey:
PBLYTKVVBICSHZ-AWTWTUOQSA-N
Inchi:
1S/C31H48O12/c1-6-31(4,5)30(40)41-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(32)13-19(33)14-22(34)42-29-26(37)24(35)25(36)27(43-29)28(38)39/h7-8,11,15-16,18-21,23-27,29,32-33,35-37H,6,9-10,12-14H2,1-5H3,(H,38,39)/t15-,16-,18+,19+,20-,21-,23-,24?,25+,26?,27?,29-/m0/s1
SMILES:
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O[C@@H]3C(C([C@H](C(C(=O)O)O3)O)O)O)O)O)[C@@H]12