| SpectraBase Compound ID | 8b7S6dCX9vi |
|---|---|
| InChI | InChI=1S/C37H50O4/c1-24(9-18-35(39)40)31-16-17-32-30-15-14-28-21-29(38)19-20-36(28,2)33(30)22-34(37(31,32)3)41-23-25-10-12-27(13-11-25)26-7-5-4-6-8-26/h4-8,10-13,24,28-34,38H,9,14-23H2,1-3H3,(H,39,40)/t24?,28-,29+,30-,31-,32-,33-,34-,36-,37+/m0/s1 |
| InChIKey | IKXVVICYTCRHSW-PYAWFBOCSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C37H50O4 |
| Exact Mass | 558.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G59d8TF6cjH |
|---|---|
| Name | 3-HYDROXY-12-(4-PHENYLBENZYLOXY)-CHOLANOIC-ACID |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50O4 |
| InChI | InChI=1S/C37H50O4/c1-24(9-18-35(39)40)31-16-17-32-30-15-14-28-21-29(38)19-20-36(28,2)33(30)22-34(37(31,32)3)41-23-25-10-12-27(13-11-25)26-7-5-4-6-8-26/h4-8,10-13,24,28-34,38H,9,14-23H2,1-3H3,(H,39,40)/t24?,28-,29+,30-,31-,32-,33-,34-,36-,37+/m0/s1 |
| InChIKey | IKXVVICYTCRHSW-PYAWFBOCSA-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 | 558.802 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12132 |