21-Deoxyaldosterone
[CAS# 47417-48-1]

Identification

• Name: 21-Deoxyaldosterone
• Synonyms: (8S,9S,10R,11S,13R,14S,17S)-17-Acetyl-11-Hydroxy-10-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-13-Carboxaldehyde; (8S,9S,10R,11S,13R,14S,17S)-17-Acetyl-11-Hydroxy-3-Keto-10-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-13-Carbaldehyde; (8S,9S,10R,11S,13R,14S,17S)-17-Ethanoyl-11-Hydroxy-10-Methyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-13-Carbaldehyde
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 47417-48-1
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC[C@@H]4C(=O)C)C=O
• InChI: 1S/C21H28O4/c1-12(23)16-5-6-17-15-4-3-13-9-14(24)7-8-20(13,2)19(15)18(25)10-21(16,17)11-22/h9,11,15-19,25H,3-8,10H2,1-2H3/t15-,16+,17-,18-,19+,20-,21-/m0/s1
• InChIKey: IOKVWBWSLVVBRO-HXOHHMPKSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 524.882°C at 760 mmHg (Cal.)
• Flash point: 285.317°C (Cal.)