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Sodium taurochenodeoxycholate-2,2,3,4,4,6,6,7,8-d9
产品别名
Sodium taurochenodeoxycholate-2,2,3,4,4,6,6,7,8-d9
Taurochenodeoxycholic-2,2,3,4,4,6,6,7,8-d9 acid sodium salt
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C26D9H35NaNO6S |
| Molecular weight | 530.74 |
| PubChem Substance ID【PubChem化学物质编号】 | 329769179 |
| NACRES | NA.12 |
产品性质
| Quality Level【质量水平】 | 200 |
| isotopic purity【同位素纯度】 | ≥98 atom % D |
| Assay【测定】 | ≥98% (CP) |
| technique(s) | mass spectrometry (MS): suitable |
| mass shift【质量偏移】 | M+9 |
| SMILES string | O=C(NCCS(=O)(O[Na])=O)CC[C@@H](C)[C@@H]1CCC2C3([2H])[C@@](O)([2H])C([2H])([2H])C4C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C[C@]4(C)C3CC[C@@]21C |
| InChI | 1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22-,24?,25+,26-;/m1./s1/i8D2,14D2,15D2,18D,22D,24D; |
| InChI key | IYPNVUSIMGAJFC-YHOAHADESA-M |
安全信息
| Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
