TRIS-CYClOLITHOCHOLATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 8jNBMUofPss |
|---|---|
| InChI | InChI=1S/C72H114O6/c1-43-10-25-64(73)76-49-28-34-68(5)47(40-49)14-17-53-59-23-20-56(71(59,8)38-32-62(53)68)45(3)12-27-66(75)78-51-30-36-69(6)48(42-51)15-18-54-60-24-21-57(72(60,9)39-33-63(54)69)44(2)11-26-65(74)77-50-29-35-67(4)46(41-50)13-16-52-58-22-19-55(43)70(58,7)37-31-61(52)67/h43-63H,10-42H2,1-9H3/t43?,44?,45?,46-,47-,48+,49-,50-,51+,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,67+,68+,69-,70-,71-,72+/m1/s1 |
| InChIKey | WDCQXRGPQVMVHW-ZYSSJAPLSA-N |
| Mol Weight | 1075.7 g/mol |
| Molecular Formula | C72H114O6 |
| Exact Mass | 1074.861541 g/mol |
| Enantiomer InChIKey | WDCQXRGPQVMVHW-JVTORNRNSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
TETRAKIS-CYClOLITHOCHOLATE
BIS-CYClOLITHOCHOLATE
METHYL-3-BETA-ACETOXY-5-BETA-CHOLAN-24-OATE
Methyl (20S)-3.beta.-acetoxy-5.alpha.-cholanate
Lithocholic acid, methyl ester acetate
METHYL-3-ACETYLLITHOCHOLATE
METHYL-3-ALPHA-ACETOXY-5-BETA-CHOLAN-24-OATE
ST 24:1;O3;G/9:0
ST 24:1;O3;G/14:0
ST 24:1;O3;G/15:0
| 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.