![[3,4-(13)C(2)]-CHENODEOXYCHOLIC-ACID](/api/spectrum/Ji29MeB4z9r/structure.png?h=300&w=458 "[3,4-(13)C(2)]-CHENODEOXYCHOLIC-ACID")
| SpectraBase Compound ID | 9vSQgUqQgqm |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-13(3-8-21(26)27)16-4-5-18-17(16)6-7-19-22(18)20(25)12-14-11-15(24)9-10-23(14,19)2/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 | CILFZDDLSHDCJG-ANRXWNLLSA-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 | Ji29MeB4z9r |
|---|---|
| Name | [3,4-(13)C(2)]-CHENODEOXYCHOLIC-ACID |
| Compound Number | 22B |
| 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)16-4-5-18-17(16)6-7-19-22(18)20(25)12-14-11-15(24)9-10-23(14,19)2/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 | CILFZDDLSHDCJG-ANRXWNLLSA-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 | UWSI22107 |