![[3,4-(13)C(2)]-CHOLIC-ACID](/api/spectrum/FlZVg6mzcFW/structure.png?h=300&w=458 "[3,4-(13)C(2)]-CHOLIC-ACID")
| SpectraBase Compound ID | 7tLBYCxVRWa |
|---|---|
| InChI | InChI=1S/C23H38O5/c1-12(3-6-20(27)28)15-4-5-16-21(15)19(26)11-17-22(16)18(25)10-13-9-14(24)7-8-23(13,17)2/h12-19,21-22,24-26H,3-11H2,1-2H3,(H,27,28)/t12-,13-,14+,15+,16+,17-,18+,19-,21+,22-,23-/m0/s1/i9+1,14+1 |
| InChIKey | TZWPFVYIIXJLMW-UZHFYYMOSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C2113C2H38O5 |
| Exact Mass | 396.278634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlZVg6mzcFW |
|---|---|
| Name | [3,4-(13)C(2)]-CHOLIC-ACID |
| Compound Number | 22A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H38O5 |
| InChI | InChI=1S/C23H38O5/c1-12(3-6-20(27)28)15-4-5-16-21(15)19(26)11-17-22(16)18(25)10-13-9-14(24)7-8-23(13,17)2/h12-19,21-22,24-26H,3-11H2,1-2H3,(H,27,28)/t12-,13-,14+,15+,16+,17-,18+,19-,21+,22-,23-/m0/s1/i9+1,14+1 |
| InChIKey | TZWPFVYIIXJLMW-UZHFYYMOSA-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 | 394.552 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI22106 |