![[3,4-(13)C(2)]-DEOXYCHOLIC-ACID](/api/spectrum/EfhhaTzTE2s/structure.png?h=300&w=458 "[3,4-(13)C(2)]-DEOXYCHOLIC-ACID")
| SpectraBase Compound ID | DJkjWCHKDUB |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-13(3-8-21(26)27)16-6-7-18-17-5-4-14-11-15(24)9-10-23(14,2)19(17)12-20(25)22(16)18/h13-20,22,24-25H,3-12H2,1-2H3,(H,26,27)/t13-,14+,15+,16+,17-,18-,19-,20-,22+,23-/m0/s1/i11+1,15+1 |
| InChIKey | HUPLQBFZDZOXSZ-GETHTCKISA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C2113C2H38O4 |
| Exact Mass | 380.283719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfhhaTzTE2s |
|---|---|
| Name | [3,4-(13)C(2)]-DEOXYCHOLIC-ACID |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-13(3-8-21(26)27)16-6-7-18-17-5-4-14-11-15(24)9-10-23(14,2)19(17)12-20(25)22(16)18/h13-20,22,24-25H,3-12H2,1-2H3,(H,26,27)/t13-,14+,15+,16+,17-,18-,19-,20-,22+,23-/m0/s1/i11+1,15+1 |
| InChIKey | HUPLQBFZDZOXSZ-GETHTCKISA-N |
| Literature Reference Author | G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY |
| Literature Reference Citation | J.ORG.CHEM.,67,6764(2002) |
| Literature Reference DOI | 10.1021/jo0259109 |
| Molecular Weight | 378.552 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI22101 |