(3R)-3-[(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]Butane-1-Sulfonic Acid
[CAS# 145523-79-1]

Identification

• Name: (3R)-3-[(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]Butane-1-Sulfonic Acid
• Synonyms: 24-Norcholane-23-Sulfonic Acid, 3,7-Dihydroxy-, (3Alpha,5Beta,7Alpha)-; 3,7-Dihydroxy-24-Norcholane-23-Sulfonate; 3Alpha,7Alpha-Dihydroxy-24-Nor-5Beta-Cholane-23-Sulfonate
• Molecular Formula: C₂₃H₄₀O₅S
• Molecular Weight: 428.63
• CAS Registry Number: 145523-79-1
• 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](CC[S](=O)(=O)O)C)C)O)C)O
• InChI: 1S/C23H40O5S/c1-14(8-11-29(26,27)28)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(24)12-15(22)13-20(21)25/h14-21,24-25H,4-13H2,1-3H3,(H,26,27,28)/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
• InChIKey: NTBYMHPNFQILPA-VEPRGJRUSA-N

Properties

• Density: 1.207g/cm³ (Cal.)