基本信息 |
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产品名称: | SIMVASTATIN ACYL-BETA-D-GLUCURONIDE |
CAS: | 463962-56-3 |
英文同义词: | SIMVASTATIN ACYL-BETA-D-GLUCURONIDE |
MDL号: | MFCD18252499 |
氢键受体数量: | 12 |
氢键供体数量: | 6 |
Smile: | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)C |
InChi: | 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 |
InChiKey: | InChIKey=PBLYTKVVBICSHZ-DBGCAFMXSA-N |
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