| SpectraBase Compound ID | 5UC8bDO1Kk |
|---|---|
| InChI | InChI=1S/C35H54O7/c1-23(10-13-32(37)38)27-11-12-28-33-29(20-31(35(27,28)3)41-21-24-8-6-5-7-9-24)34(2)15-14-26(36)18-25(34)19-30(33)42-22-40-17-16-39-4/h5-9,23,25-31,33,36H,10-22H2,1-4H3,(H,37,38)/t23?,25-,26-,27+,28+,29+,30-,31+,33+,34+,35-/m1/s1 |
| InChIKey | QGTIESFFAHVASH-MOJVXERTSA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C35H54O7 |
| Exact Mass | 586.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LD76FziNaG |
|---|---|
| Name | 12-BENZYLOXY-3-HYDROXY-7-(2-METHOXYETHOXYMETHOXY)-CHOLANOIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O7 |
| InChI | InChI=1S/C35H54O7/c1-23(10-13-32(37)38)27-11-12-28-33-29(20-31(35(27,28)3)41-21-24-8-6-5-7-9-24)34(2)15-14-26(36)18-25(34)19-30(33)42-22-40-17-16-39-4/h5-9,23,25-31,33,36H,10-22H2,1-4H3,(H,37,38)/t23?,25-,26-,27+,28+,29+,30-,31+,33+,34+,35-/m1/s1 |
| InChIKey | QGTIESFFAHVASH-MOJVXERTSA-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 | 586.810 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12126 |