Product Information
Chemical Formula: | C26H45NO6S |
---|---|
Molecular Weight: | 535.74 |
Synonyms: | 3α,7β-Dihydroxy-5β-cholan-24-oic acid n-(2-sulfoethyl)amide dihydrate |
MDL No.: | MFCD09750398 |
EINECS / EC No.: | N/A |
Pubchem CID: | 9848818 |
IUPAC Name: | 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 |
Standard InchI: | InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 |
InchI Key: | BHTRKEVKTKCXOH-LBSADWJPSA-N |
SMILES: | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
Appearance: | White to off-white powder |
Melting Point (°C): | 173-175 |
Boiling Point: | 496.4oC at 760mmHg |
Density (Theoretical): | 1.216 g/cm3 |
Solubility: | N/A |
Refractive Index: | 46 ° (C=1, EtOH) |
Safety Information
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