![2,2,2-TRICHLOROETHYL-3-HYDROXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE](/api/spectrum/FqA6gGgL3pp/structure.png?h=300&w=458 "2,2,2-TRICHLOROETHYL-3-HYDROXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE")
| SpectraBase Compound ID | 5fJFKvNdzoN |
|---|---|
| InChI | InChI=1S/C42H57Cl3O7/c1-28(14-17-38(47)50-25-42(43,44)45)33-15-16-34-39-35(22-37(41(33,34)3)52-27-49-24-30-12-8-5-9-13-30)40(2)19-18-32(46)20-31(40)21-36(39)51-26-48-23-29-10-6-4-7-11-29/h4-13,28,31-37,39,46H,14-27H2,1-3H3/t28?,31?,32-,33+,34?,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | DKCMDODISFHIEY-IMMHDZNOSA-N |
| Mol Weight | 780.3 g/mol |
| Molecular Formula | C42H57Cl3O7 |
| Exact Mass | 778.316987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FqA6gGgL3pp |
|---|---|
| Name | 2,2,2-TRICHLOROETHYL-3-HYDROXY-7,12-BIS-[(BENZYLOXY)-METHOXY]-CHOLANOATE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57Cl3O7 |
| InChI | InChI=1S/C42H57Cl3O7/c1-28(14-17-38(47)50-25-42(43,44)45)33-15-16-34-39-35(22-37(41(33,34)3)52-27-49-24-30-12-8-5-9-13-30)40(2)19-18-32(46)20-31(40)21-36(39)51-26-48-23-29-10-6-4-7-11-29/h4-13,28,31-37,39,46H,14-27H2,1-3H3/t28?,31?,32-,33+,34?,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | DKCMDODISFHIEY-IMMHDZNOSA-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 | 780.269 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12138 |