3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE-2-BUTANOL-SOLVATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | B3qXRuhOf7t |
|---|---|
| InChI | InChI=1S/2C29H44N2O4.2C4H10O/c2*1-17(4-7-26(35)31-19-9-12-30-13-10-19)21-5-6-22-27-23(16-25(34)29(21,22)3)28(2)11-8-20(32)14-18(28)15-24(27)33;2*1-3-4(2)5/h2*9-10,12-13,17-18,20-25,27,32-34H,4-8,11,14-16H2,1-3H3,(H,30,31,35);2*4-5H,3H2,1-2H3/t2*17-,18+,20-,21-,22+,23+,24-,25+,27+,28?,29-;;/m11../s1 |
| InChIKey | KHMNVKRZEWTROU-ZJJNTBQOSA-N |
| Mol Weight | 1117.6 g/mol |
| Molecular Formula | C66H108N4O10 |
| Exact Mass | 1116.806546 g/mol |
| Enantiomer InChIKey | KHMNVKRZEWTROU-KRLZNBHJSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | SOLID-STATE |
3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE-ETHANOL-SOLVATE
3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE-ANHYDROUS-FORM
3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-N-(PYRIDIN-4-YL)-AMIDE
N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE
#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
Sodium glycocholate hydrate
Glycocholic acid
[(3,7,12-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid
Glycocholic acid dihydrate
Methyl glycoallocholate
| Title | Journal or Book | Year |
|---|---|---|
| Structural studies of five novel bile acid-4-aminopyridine conjugates | 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.