3-ALPHA,3'-ALPHA-BIS-(2-ACETOXYPHENYLCARBOXY)-5-BETA-CHOLAN-24-OIC-ACID-ETHANE-1,2-DIOL-DIESTER
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 5HM7Cvt5F1A |
|---|---|
| InChI | InChI=1S/C68H94O12/c1-41(53-23-25-55-49-21-19-45-39-47(29-33-65(45,5)57(49)31-35-67(53,55)7)79-63(73)51-13-9-11-15-59(51)77-43(3)69)17-27-61(71)75-37-38-76-62(72)28-18-42(2)54-24-26-56-50-22-20-46-40-48(30-34-66(46,6)58(50)32-36-68(54,56)8)80-64(74)52-14-10-12-16-60(52)78-44(4)70/h9-16,41-42,45-50,53-58H,17-40H2,1-8H3/t41-,42+,45?,46?,47-,48+,49?,50?,53-,54+,55?,56?,57?,58?,65+,66-,67-,68+ |
| InChIKey | VVLXKIKXJOZDRS-WGOSTZEPSA-N |
| Mol Weight | 1103.5 g/mol |
| Molecular Formula | C68H94O12 |
| Exact Mass | 1102.674528 g/mol |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
3-ALPHA,3'-ALPHA-BIS-(3-ACETOXYPHENYLCARBOXY)-5-BETA-CHOLAN-24-OIC-ACID-ETHANE-1,2-DIOL-DIESTER
3-ALPHA,3'-ALPHA-BIS-(2-NAPHTHYLCARBOXY)-5-BETA-CHOLAN-24-OIC-ACID-ETHANE-1,2-DIOL-DIESTER
Cholestan-3β-ol, p-(tetrahydro-2H-1,2-thiazin-2-yl)benzoate, S,S-dioxide
CHOLESTANYL, 3-MORPHOLINO-2,4,4,4-TETRAFLUOROBUT-2(E)-ENOATE
CHOLESTANYL, 3-MORPHOLINO-2,4,4,4-TETRAFLUOROBUT-2(Z)-ENOATE
stigmastanyl 4''-acetylferulate
CHOLESTANYL, 3-CYCLOHEXYLIMINO-2,4,4,4-TETRAFLUOROBUTANOATE (ISOMER 1)
CHOLESTANYL, 3-PROPYLAMINO-2,4,4,4-TETRAFLUOROBUT-2E-ENOATE
CHOLESTANYL, 3-DIETHYLAMINO-2,4,4,4-TETRAFLUOROBUT-2(Z)-ENOATE
CHOLESTANYL, 3-DIETHYLAMINO-2,4,4,4-TETRAFLUOROBUT-2(E)-ENOATE
| 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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