#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
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 3djfomsLiJd |
|---|---|
| InChI | InChI=1S/C28H48N2O4S2.C27H48N2O4/c1-16(5-8-24(34)29-11-4-12-30-26(35)36)19-6-7-20-25-21(15-23(33)28(19,20)3)27(2)10-9-18(31)13-17(27)14-22(25)32;1-16(5-8-24(33)29-12-4-11-28)19-6-7-20-25-21(15-23(32)27(19,20)3)26(2)10-9-18(30)13-17(26)14-22(25)31/h16-23,25,31-33H,4-15H2,1-3H3,(H,29,34)(H2,30,35,36);16-23,25,30-32H,4-15,28H2,1-3H3,(H,29,33)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,27+,28-;16-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m10/s1 |
| InChIKey | FJQPABPYUOOYSC-MSLZONFSSA-N |
| Mol Weight | 1005.5 g/mol |
| Molecular Formula | C55H96N4O8S2 |
| Exact Mass | 1004.666958 g/mol |
| Enantiomer InChIKey | FJQPABPYUOOYSC-BWFSXURLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE
Glycocholic acid dihydrate
[(3,7,12-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid
Sodium glycocholate hydrate
Glycocholic acid
Methyl glycocholate
Cholic acid N-benzylamide
3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate hydrate
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
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Both Ionic Species of Ammonium Dithiocarbamate Derived Cholic Acid Moieties | Molecules | 2011 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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