Sodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-3-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-6-Yl] Hydrogen Sulfate
[CAS# 141677-59-0]

Identification

• Name: Sodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-3-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-6-Yl] Hydrogen Sulfate
• Synonyms: [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Hydrogen Sulfate; Sodium; 3Beta-Hydroxy-5Alpha-Cholestan-6Alpha-Yl Sulfate; Cholestane-3,6-Diol, 6-(Hydrogen Sulfate), Monosodium Salt, (3Beta,5Alpha,6Alpha)-
• Molecular Formula: C₂₇H₄₈NaO₅S
• Molecular Weight: 507.72
• CAS Registry Number: 141677-59-0
• SMILES: [Na].[C@H]13[C@@H]([C@@]2([C@@H]([C@@H](O[S](=O)(=O)O)C1)C[C@@H](O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H48O5S.Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(32-33(29,30)31)24-15-19(28)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: PJYBMXLGEQDGDW-KDYNESQISA-N