![[3,4-(13)C(2)]-(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER](/api/spectrum/KOrgF83g5kA/structure.png?h=300&w=458 "[3,4-(13)C(2)]-(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER")
| SpectraBase Compound ID | 1jEGju5lpkw |
|---|---|
| InChI | InChI=1S/C32H42O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,18,20,24-28H,10-17,19H2,1-4H3/t20-,24+,25-,26+,27+,28+,31+,32-/m1/s1/i18+1,23+1 |
| InChIKey | CURVUSKPGSOVCS-RIMRRPKASA-N |
| Mol Weight | 508.7 g/mol |
| Molecular Formula | C3013C2H42O5 |
| Exact Mass | 508.309934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOrgF83g5kA |
|---|---|
| Name | [3,4-(13)C(2)]-(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER |
| Compound Number | 14A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C3013C2H42O5 |
| InChI | InChI=1S/C32H42O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,18,20,24-28H,10-17,19H2,1-4H3/t20-,24+,25-,26+,27+,28+,31+,32-/m1/s1/i18+1,23+1 |
| InChIKey | CURVUSKPGSOVCS-RIMRRPKASA-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 | 508.667 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI22098 |