cismadinone
[CAS# 54063-31-9]

Identification

• Name: cismadinone
• Synonyms: (6S,8R,9S,10R,13S,14S,17R)-6-Chloro-17-Ethanoyl-17-Hydroxy-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One; Cismadinone; Cismadinone [Inn]
• Molecular Formula: C₂₁H₂₇ClO₃
• Molecular Weight: 362.90
• CAS Registry Number: 54063-31-9
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@@H](Cl)C4)C)C
• InChI: 1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10,14-16,18,25H,5-6,8-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1
• InChIKey: RNSISAJHBSCDGC-SCUQKFFVSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 520.594°C at 760 mmHg (Cal.)
• Flash point: 268.646°C (Cal.)