基本信息 |
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产品名称: | JESACONITINE |
CAS: | 16298-90-1 |
英文同义词: | GUAYEWUANINE B ; JESACONITINE |
MDL号: | MFCD00221752 |
氢键受体数量: | 13 |
氢键供体数量: | 3 |
Smile: | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccc(cc7)OC)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC |
InChi: | InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29-,30+,32+,33-,34+,35-/m1/s1 |
InChiKey: | InChIKey=MGTJNQWIXFSPLC-BHMNHYNJSA-N |
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