| SpectraBase Compound ID | AM842bQnumz |
|---|---|
| InChI | InChI=1S/C38H52O4/c1-25(10-19-36(40)41-4)32-17-18-33-31-16-15-29-22-30(39)20-21-37(29,2)34(31)23-35(38(32,33)3)42-24-26-11-13-28(14-12-26)27-8-6-5-7-9-27/h5-9,11-14,25,29-35,39H,10,15-24H2,1-4H3/t25?,29-,30+,31-,32-,33-,34-,35-,37-,38+/m0/s1 |
| InChIKey | YOWKCGFIXWTWTN-KSYJLZESSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C38H52O4 |
| Exact Mass | 572.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49dTQbvNppk |
|---|---|
| Name | METHYL-3-HYDROXY-12-(4-PHENYLBENZYLOXY)-CHOLANOATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O4 |
| InChI | InChI=1S/C38H52O4/c1-25(10-19-36(40)41-4)32-17-18-33-31-16-15-29-22-30(39)20-21-37(29,2)34(31)23-35(38(32,33)3)42-24-26-11-13-28(14-12-26)27-8-6-5-7-9-27/h5-9,11-14,25,29-35,39H,10,15-24H2,1-4H3/t25?,29-,30+,31-,32-,33-,34-,35-,37-,38+/m0/s1 |
| InChIKey | YOWKCGFIXWTWTN-KSYJLZESSA-N |
| Literature Reference Author | P.A.BRADY,J.K.M.SANDERS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3237(1997) |
| Literature Reference DOI | 10.1039/a703390g |
| Molecular Weight | 572.828 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12133 |