(25S)-(+)-3-ALPHA,7-ALPHA,12-ALPHA,26-TETRAHYDROXY-5-BETA-CHOLESTAN-27-YL-SODIUM-SULFATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | BaVUhVtJFO9 |
|---|---|
| InChI | InChI=1S/C27H48O8S.Na/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30;/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34);/q;+1/p-1/t16-,17+,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-;/m1./s1 |
| InChIKey | PUTRWEXYAIMOSC-SPXPJTNMSA-M |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C27H47NaO8S |
| Exact Mass | 554.288934 g/mol |
| Parent InChIKey | KAOLEMQCYWHOJQ-QSAPCXOVSA-M |
| Enantiomer InChIKey | PUTRWEXYAIMOSC-ZRVNVAMISA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
3.alpha.,7.alpha.,12.alpha.-trihydroxycoprostane
Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
3α, 7α,12α,24-cholanetetrol
(24S)-5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,24,26,27-HEXOL;(SCYMNOL)
SCYMNOL;(24R)-5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,24,26,27-HEXOL
Cholic acid, anion
Cholic acid, monosodium salt
Sodium cholate hydrate
3-BETA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
| Title | Journal or Book | Year |
|---|---|---|
| Study on the Bile Salts from Sunfish, Mola mola L. I. The Structures of Sodium Cyprinol Sulfates, the Sodium Salt of a New Bile Acid Conjugated with Taurine, and a New Bile Alcohol and Its New Sodium Sulfates. | Chemical and Pharmaceutical Bulletin | 1998 |