Sodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
[CAS# 141677-55-6]

Identification

• Name: Sodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
• Synonyms: [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-6-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Hydrogen Sulfate; Sodium; 6Alpha-Hydroxy-5Alpha-Cholestan-3Beta-Yl Sulfate; Cholestane-3,6-Diol, 3-(Hydrogen Sulfate), Monosodium Salt, (3Beta,5Alpha,6Alpha)-
• Molecular Formula: C₂₇H₄₈NaO₅S
• Molecular Weight: 507.72
• CAS Registry Number: 141677-55-6
• SMILES: [Na].[C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4([C@@H]([C@@H](O)C3)C[C@@H](O[S](=O)(=O)O)CC4)C)C
• InChI: 1S/C27H48O5S.Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28)24-15-19(32-33(29,30)31)11-13-27(24,5)23(20)12-14-26(21,22)4;/h17-25,28H,6-16H2,1-5H3,(H,29,30,31);/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-;/m1./s1
• InChIKey: PXLRLNZSUXOROR-KDYNESQISA-N