2-[(8S,9S,10S,11S,13S,14S,17R)-13-Formyl-11-Hydroxy-10-Methyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Ethyl Hydrogen Sulfate
[CAS# 121699-10-3]

Identification

• Name: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-Formyl-11-Hydroxy-10-Methyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Ethyl Hydrogen Sulfate
• Synonyms: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-Formyl-11-Hydroxy-3-Keto-10-Methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl Hydrogen Sulfate; 2-[(8S,9S,10S,11S,13S,14S,17R)-11-Hydroxy-13-Methanoyl-10-Methyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl Hydrogen Sulfate; 3,5-Tetrahydroaldosterone Sulfate
• Molecular Formula: C₂₁H₃₂O₇S
• Molecular Weight: 428.54
• CAS Registry Number: 121699-10-3
• SMILES: [C@@H]23CCC1CC(CC[C@@]1([C@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4CCO[S](=O)(=O)O)C=O)O)C)=O
• InChI: 1S/C21H32O7S/c1-20-8-6-15(23)10-14(20)2-4-16-17-5-3-13(7-9-28-29(25,26)27)21(17,12-22)11-18(24)19(16)20/h12-14,16-19,24H,2-11H2,1H3,(H,25,26,27)/t13-,14?,16+,17+,18+,19-,20+,21+/m1/s1
• InChIKey: HVANFPMHKAMILB-XKNCWEQSSA-N

Properties

• Density: 1.353g/cm³ (Cal.)