基本信息 |
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产品名称: | LUPEOL CAFFEATE |
CAS: | 103917-26-6 |
英文同义词: | LUPEOL CAFFEATE |
MDL号: | MFCD17214894 |
氢键受体数量: | 4 |
氢键供体数量: | 2 |
Smile: | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/c6ccc(c(c6)O)O)C)C |
InChi: | InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1 |
InChiKey: | InChIKey=NIKLINODNHPPMX-HBWVHPEESA-N |
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