基本信息 |
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产品名称: | 5BETA-CHOLANIC ACID-12ALPHA-OL-3-ONE METHYL ESTER |
CAS: | 10538-58-6 |
英文同义词: | METHYL 3-KETO DEOXYCHOLATE ; 5BETA-CHOLANIC ACID-12ALPHA-OL-3-ONE METHYL ESTER |
MDL号: | MFCD00271400 |
氢键受体数量: | 4 |
氢键供体数量: | 1 |
Smile: | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C |
InChi: | InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
InChiKey: | InChIKey=LOJPGRHPJBGMMF-CNZSLQMUSA-N |
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