3-ALPHA,3'-ALPHA-BIS-(4-ACETOXYPHENYLCARBOXY)-5-BETA-CHOLAN-24-OIC-ACID-ETHANE-1,2-DIOL-DIESTER
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 9hYaFPjZRJ3 |
|---|---|
| InChI | InChI=1S/C68H94O12/c1-41(55-23-25-57-53-21-15-47-39-51(29-33-65(47,5)59(53)31-35-67(55,57)7)79-63(73)45-11-17-49(18-12-45)77-43(3)69)9-27-61(71)75-37-38-76-62(72)28-10-42(2)56-24-26-58-54-22-16-48-40-52(30-34-66(48,6)60(54)32-36-68(56,58)8)80-64(74)46-13-19-50(20-14-46)78-44(4)70/h11-14,17-20,41-42,47-48,51-60H,9-10,15-16,21-40H2,1-8H3/t41-,42+,47?,48?,51-,52+,53?,54?,55-,56+,57?,58?,59?,60?,65+,66-,67-,68+ |
| InChIKey | ONENRTNVCPNWAY-PBVZHJCYSA-N |
| Mol Weight | 1103.5 g/mol |
| Molecular Formula | C68H94O12 |
| Exact Mass | 1102.674528 g/mol |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
Tetraphthalate of 3-.alpha.-hydroxy-5.beta.-chilan-24-oic axcid ethylene glycol diester
3-ALPHA,3'-ALPHA-BIS-(2,6-DICHLOROPHENYLCARBOXY)-5-BETA-CHOLAN-24-OIC-ACID-ETHANE-1,2-DIOL-DIESTER
5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy-, methyl ester, trifluoroacetate
LCA-[G#1]-COOH
Hexafluoroisopropyl 3.beta.-trifluoroacetoxy-5.beta.-cholan-24-oate
ST 24:1;O3;G/18:5
ST 24:1;O3;G/18:4
ST 24:1;O3;G/24:6
ST 24:1;O3;G/16:4
ST 24:1;O3;G/22:6
| Title | Journal or Book | Year |
|---|---|---|
| 3α,3′α-Bis(n-acetoxyphenylcarboxy)-5β-cholan-24-oic acid ethane-1,2-diol diesters (n = 2-4):13C NMR chemical shifts, variable-temperature and NOE1H NMR measurements and MO calculations of novel bile acid-based dimers | Magnetic Resonance in Chemistry | 2000 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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