Amadinone
[CAS# 22304-34-3]

Identification

• Name: Amadinone
• Synonyms: Acetic Acid [(17R)-17-Acetyl-6-Chloro-13-Methyl-3-Oxo-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(17R)-17-Acetyl-6-Chloro-3-Keto-13-Methyl-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(17R)-6-Chloro-17-Ethanoyl-13-Methyl-3-Oxo-1,2,8,9,10,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₇ClO₄
• Molecular Weight: 390.91
• CAS Registry Number: 22304-34-3
• SMILES: [C@@]4(OC(=O)C)(C3(C(C2C(C1C(=CC(=O)CC1)C(=C2)Cl)CC3)CC4)C)C(=O)C
• InChI: 1S/C22H27ClO4/c1-12(24)22(27-13(2)25)9-7-19-17-11-20(23)18-10-14(26)4-5-15(18)16(17)6-8-21(19,22)3/h10-11,15-17,19H,4-9H2,1-3H3/t15?,16?,17?,19?,21?,22-/m0/s1
• InChIKey: PSJMYDLEWUWIAN-AACWQEQTSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 513.218°C at 760 mmHg (Cal.)
• Flash point: 178.749°C (Cal.)