BIS-CYClOLITHOCHOLATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | DV2GXwXiCxB |
|---|---|
| InChI | InChI=1S/C48H76O4/c1-29-7-17-43(49)51-33-19-23-46(4)32(27-33)10-12-36-40-16-14-38(48(40,6)26-22-42(36)46)30(2)8-18-44(50)52-34-20-24-45(3)31(28-34)9-11-35-39-15-13-37(29)47(39,5)25-21-41(35)45/h29-42H,7-28H2,1-6H3/t29?,30?,31-,32-,33-,34-,35?,36?,37?,38?,39?,40?,41?,42?,45+,46+,47-,48-/m1/s1 |
| InChIKey | ZWBSDHIIMHEEFY-PSXRVFCESA-N |
| Mol Weight | 717.1 g/mol |
| Molecular Formula | C48H76O4 |
| Exact Mass | 716.574361 g/mol |
| Enantiomer InChIKey | ZWBSDHIIMHEEFY-IYQAXQTCSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
TRIS-CYClOLITHOCHOLATE
TETRAKIS-CYClOLITHOCHOLATE
Lithocholic acid, methyl ester acetate
Methyl (20S)-3.beta.-Acetoxy-5.alpha.-cholanate
METHYL-3-BETA-ACETOXY-5-BETA-CHOLAN-24-OATE
METHYL-3-ACETYLLITHOCHOLATE
METHYL-3-ALPHA-ACETOXY-5-BETA-CHOLAN-24-OATE
5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy-, methyl ester, trifluoroacetate
3.alpha.-Trifluoroacetoxy-5.beta.-cholan-24-oic acid ethylene glycol diester
Cholestan-3-ol, fluoroacetate, (3.beta.,5.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| 13C NMR Spectral Identification of Four Cyclolithocholates (3α-Hydroxy-5β-cholan-24-oate Macrolides) | Magnetic Resonance in Chemistry | 1996 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.