| SpectraBase Compound ID | FFU76zP7C7l |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-20(10-13-29(35)36-4)24-11-12-25-30-26(31(2)15-14-23(33)16-22(31)17-27(30)34)18-28(32(24,25)3)37-19-21-8-6-5-7-9-21/h5-9,20,22-28,30,33-34H,10-19H2,1-4H3/t20?,22-,23-,24+,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | TVVLPNBGZQFEGS-KXAPBCCNSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TGrTNXhqAL |
|---|---|
| Name | METHYL-12-BENZYLOXY-3,7-DIHYDROXYCHOLANOATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-20(10-13-29(35)36-4)24-11-12-25-30-26(31(2)15-14-23(33)16-22(31)17-27(30)34)18-28(32(24,25)3)37-19-21-8-6-5-7-9-21/h5-9,20,22-28,30,33-34H,10-19H2,1-4H3/t20?,22-,23-,24+,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | TVVLPNBGZQFEGS-KXAPBCCNSA-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 | 512.730 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12124 |