TETRAKIS-CYClOLITHOCHOLATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 5ZpT5EmWaih |
|---|---|
| InChI | InChI=1S/C96H152O8/c1-57-13-33-85(97)101-65-37-45-90(6)62(53-65)18-22-70-78-30-26-74(94(78,10)50-42-82(70)90)59(3)15-35-87(99)103-67-39-47-92(8)64(55-67)20-24-72-80-32-28-76(96(80,12)52-44-84(72)92)60(4)16-36-88(100)104-68-40-48-91(7)63(56-68)19-23-71-79-31-27-75(95(79,11)51-43-83(71)91)58(2)14-34-86(98)102-66-38-46-89(5)61(54-66)17-21-69-77-29-25-73(57)93(77,9)49-41-81(69)89/h57-84H,13-56H2,1-12H3/t57?,58?,59?,60?,61-,62-,63-,64-,65-,66-,67-,68-,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,89+,90+,91+,92+,93-,94-,95-,96-/m1/s1 |
| InChIKey | WRZNZGVDXITEMN-DQGAECEASA-N |
| Mol Weight | 1434.3 g/mol |
| Molecular Formula | C96H152O8 |
| Exact Mass | 1433.148722 g/mol |
| Enantiomer InChIKey | WRZNZGVDXITEMN-BEJXNDPHSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
BIS-CYClOLITHOCHOLATE
TRIS-CYClOLITHOCHOLATE
METHYL-3-BETA-ACETOXY-5-BETA-CHOLAN-24-OATE
METHYL-3-ACETYLLITHOCHOLATE
METHYL-3-ALPHA-ACETOXY-5-BETA-CHOLAN-24-OATE
Methyl (20S)-3.beta.-Acetoxy-5.alpha.-cholanate
Lithocholic acid, methyl ester acetate
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.