基本信息 |
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产品名称: | CRM-PTX2 |
CAS: | 119166-88-0 |
英文同义词: | PECTENOTOXIN ; CRM-PTX2 |
MDL号: | MFCD11114488 |
氢键受体数量: | 14 |
氢键供体数量: | 3 |
Smile: | C[C@H]1CCO[C@]([C@H]1O)([C@H]2C[C@H]3[C@@H](O2)/C=C/C(=C/[C@H](C[C@@]4(CC[C@H](O4)[C@@]56CC[C@@](O5)(C[C@H](O6)[C@H]7C(=O)C[C@](O7)([C@@H]([C@H]8CC[C@]9(O8)CCC[C@H](O9)[C@@H](C(=O)O3)C)O)C)C)C)C)/C)O |
InChi: | InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31+,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43-,44+,45-,46-,47+/m1/s1 |
InChiKey: | InChIKey=PTKFEDGHUVZLPL-YGOOTKOUSA-N |
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