Glycocholic acid, sodium salt hydrate
SPECIFICATION
| Catalog ID: | G-500 |
|---|---|
| CAS #: | 863-57-0 |
| Formula: | C26H42NO6Na |
| MW: | 487.62 g/mol |
| Storage/handling: | Store desiccated at 4°C. |
| PubChem Chemical ID: | 23670522 |
| IUPAC Name: | sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]pentanoyl]amino]acetate |
| InChI: | InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1 |
| InChIKey: | OABYVIYXWMZFFJ-ZUHYDKSRSA-M |
| SMILES: | CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |