| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| C133024-1g |
1g |
现货  |
| |
| C133024-5g |
5g |
期货 |
|
| 别名 | 胆固醇甲基碳酸酯 |
|---|---|
| 英文别名 | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl carbonate | NSC93985 | NSC-93985 | Cholest-5-en-3-ol (3.beta.)-, methyl carbonate | Cholester |
| 规格或纯度 | ≥80%(GC) |
| 英文名称 | cholesteryl methyl carbonate |
| 运输条件 | 常规运输 |
| 纯度 | ≥80%(GC) |
| PubChem SID | 504758197 |
|---|---|
| IIUPAC Name | [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate |
| INCHI | 1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChi Key | WHMGDIMLSAAHJQ-OHPSOFBHSA-N |
| Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C)C |
| Isomeric SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC)C)C |
| 分子量 | 444.7 |
| Reaxy-Rn | 3479972 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3479972&ln= |
| 熔点 | 114 °C |
|---|---|
| 分子量 | 444.700 g/mol |
| XLogP3 | 9.500 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 8 |
| 精确质量Exact Mass | 444.36 Da |
| 单同位素质量Monoisotopic Mass | 444.36 Da |
| 拓扑极表面积Topological Polar Surface Area | 35.500 Ų |
| 重原子数Heavy Atom Count | 32 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 711.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 8 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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