(6S,9S,14S,16R,17S)-17-Acetyl-6-Chloro-10,13,16-Trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 5591-27-5]

Identification

• Name: (6S,9S,14S,16R,17S)-17-Acetyl-6-Chloro-10,13,16-Trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,9S,14S,16R,17S)-6-Chloro-17-Ethanoyl-10,13,16-Trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Clometherone; Clometherone [Usan]
• Molecular Formula: C₂₂H₃₁ClO₂
• Molecular Weight: 362.94
• CAS Registry Number: 5591-27-5
• SMILES: [C@H]12C([C@H]([C@@H](C1)C)C(=O)C)(CC[C@H]3C2C[C@H](Cl)C4=CC(=O)CCC34C)C
• InChI: 1S/C22H31ClO2/c1-12-9-17-15-11-19(23)18-10-14(25)5-7-21(18,3)16(15)6-8-22(17,4)20(12)13(2)24/h10,12,15-17,19-20H,5-9,11H2,1-4H3/t12-,15?,16+,17+,19+,20-,21?,22?/m1/s1
• InChIKey: UMRURYMAPMZKQO-UEUKMHFTSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 483.826°C at 760 mmHg (Cal.)
• Flash point: 203.035°C (Cal.)