2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
| Catalog Number | BL-M000519 |
| CAS Number | 516-90-5 |
 | |
| IUPAC Name | 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid |
| Synonyms | 5ß-cholanic acid-3α-ol N-(2-sulphoethyl)-amide, sodium salt |
| Molecular Weight | 483.704 |
| Molecular Formula | C26H45NO5S |
| Purity | >99% |
| Appearance | Powder |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 61.75%, H 8.77%, N 2.77%, Na 4.55%, O 15.82%, S 6.34% |
| Canonical SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChI Key | QBYUNVOYXHFVKC-GBURMNQMSA-N |
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