(5R)-5-[(3R,5S,7R,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]Hexane-1-Sulfonic Acid
[CAS# 145523-80-4]

Identification

• Name: (5R)-5-[(3R,5S,7R,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]Hexane-1-Sulfonic Acid
• Synonyms: 26,27-Dinorcholestane-25-Sulfonic Acid, 3,7-Dihydroxy-, (3Alpha,5Beta,7Alpha)-; 3,7-Dihydroxy-25-Homocholane-25-Sulfonate; 3Alpha,7Alpha-Dihydroxy-25-Homo-5Beta-Cholane-25-Sulfonate
• Molecular Formula: C₂₅H₄₄O₅S
• Molecular Weight: 456.68
• CAS Registry Number: 145523-80-4
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC[S](=O)(=O)O)C)C)O)C)O
• InChI: 1S/C25H44O5S/c1-16(6-4-5-13-31(28,29)30)19-7-8-20-23-21(10-12-25(19,20)3)24(2)11-9-18(26)14-17(24)15-22(23)27/h16-23,26-27H,4-15H2,1-3H3,(H,28,29,30)/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1
• InChIKey: IANJIVUFAULQJH-SHUSUIPQSA-N

Properties

• Density: 1.176g/cm³ (Cal.)