5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester 5α-胆烷酸-3α-醇-6-酮-3-乙酸酯甲酯
CAS 2616-79-7 MFCD00056455
化学结构图
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C
化学属性
| Mol. Formula | C27H42O5 |
|---|---|
| Mol. Weight | 446.62 |
别名和识别编码
| Chemical Name | 5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester |
|---|---|
| MDL Number | MFCD00056455 |
| CAS Number | 2616-79-7 |
| Synonym | Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24- |
| PubChem Substance ID | 16219077 |
| Chemical Name Translation | 5α-胆烷酸-3α-醇-6-酮-3-乙酸酯甲酯 |
| InChI | InChI=1S/C27H42O5/c1-16(6-9-25(30)31-5)20-7-8-21-19-15-24(29)23-14-18(32-17(2)28)10-12-27(23,4)22(19)11-13-26(20,21)3/h16,18-23H,6-15H2,1-5H3/t16-,18-,19+,20-,21+,22+,23-,26-,27-/m1/s1 |
| Canonical SMILES | C[C@H](CCC(OC)=O)[C@H]1CC[C@@]2([H])[C@]3([H])CC([C@@]4([H])C[C@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O |
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分类
- {SNA} Bile acids and Derivatives, Bioactive Small Molecule Alphabetical Index, C-CH, Sterol Lipids, 生化试剂, 生物活性小分子, 细胞生物学, 脂类
- {SNA} Bile acids and Derivatives, Biochemicals and Reagents, Lipids, Sterol Lipids
- {SNA} Bile acids and Derivatives, Bioactive Small Molecule Al
