N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | EF5ZD2ziAHS |
|---|---|
| InChI | InChI=1S/C26H45NO4S/c1-15(4-7-23(31)27-10-11-32)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30,32H,4-14H2,1-3H3,(H,27,31)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
| InChIKey | IXGHNDPDOKYUBL-HZAMXZRMSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C26H45NO4S |
| Exact Mass | 467.30693 g/mol |
| Enantiomer InChIKey | IXGHNDPDOKYUBL-GJEJUWBASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
#2;N-(3-AMINOPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL-DITIHIOCARBAMATE-OF-N-(3-AMMONIUMPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDRO
Taurocholic acid
TCA;Y-4
2-[[(4R)-1-oxo-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid
[(3,7,12-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid
Glycocholic acid dihydrate
Sodium glycocholate hydrate
Glycocholic acid
Glycocholic acid-(glycyl-1-13C) monohydrate
Methyl glycoallocholate
| Title | Journal or Book | Year |
|---|---|---|
| Bile acid–cysteamine conjugates: Structural properties, gelation, and toxicity evaluation | Steroids | 2012 |
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.