| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| L472053-10mg |
10mg |
现货  |
|
| 别名 | (3a,5ß)-3-羟基胆烷24-oic-2,2,4,4-d4酸 |
|---|---|
| 英文别名 | (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-H)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid | (R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2, |
| 规格或纯度 | ≥98 atom% D,≥95% |
| 英文名称 | Lithocholic acid-2,2,4,4-d₄ |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 纯度 | ≥98 atom% D,≥95% |
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| INCHI | 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2 |
| InChi Key | SMEROWZSTRWXGI-POXZWENPSA-N |
| Smiles | [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
| Isomeric SMILES | [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H] |
| 关联CAS | 434-13-9（unlabelled） |
| 分子量 | 380.60 |
| Reaxy-Rn | 2818923 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2818923&ln= |
| 分子量 | 380.600 g/mol |
|---|---|
| XLogP3 | 6.300 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 380.323 Da |
| 单同位素质量Monoisotopic Mass | 380.323 Da |
| 拓扑极表面积Topological Polar Surface Area | 57.500 Ų |
| 重原子数Heavy Atom Count | 27 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 574.000 |
| 同位素原子数Isotope Atom Count | 4 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 9 |
| 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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| 1. P Franco, E Porru, J Fiori, A Gioiello, B Cerra, G Roda, C Caliceti, P Simoni, A Roda,. (2018-11-30) Identification and quantification of oxo-bile acids in human faeces with liquid chromatography-mass spectrometry: A potent tool for human gut acidic sterolbiome studies.. Journal of chromatography. A, ( 70-81 ). [PMID:30482431] |
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