分子结构:
CCD编号:CCD00783027
3-表熊果酸
CAS号:
989-30-0
分子式:C30 H48 O3
分子量:456.706
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| 产品名称： | 3-表熊果酸 |
| CAS： | 989-30-0 |
| 中文同义词： | 3-表熊果酸 ; (3alpha)-3-羟基乌苏-12-烯-28-酸 ; 2-脱氧-5-O-磷羧基-D-赤藓-五糖 |
| 英文同义词： | 3-HYDROXY-(3ALPHA)-URS-12-EN-28-OIC ACID ; (3A)-3-HYDROXY-URS-12-EN-28-OIC ACID ; 3-EPIURSOLIC ACID |
| MDL号： | MFCD09752408 |
| 氢键受体数量： | 3 |
| 氢键供体数量： | 2 |
| Smile： | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChi： | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1 |
| InChiKey： | InChIKey=WCGUUGGRBIKTOS-XHINXETDSA-N |
基本信息
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