(16alpha)-16-Methylpregn-4-Ene-3,20-Dione
[CAS# 1239-79-8]

Identification

• Name: (16alpha)-16-Methylpregn-4-Ene-3,20-Dione
• Synonyms: 16-α-METHYLPROGESTERONE; Pregn-4-ene-3,20-dione, 16-methyl-, (16α)-; progesterone, 16α-methyl-
• Molecular Formula: C₂₂H₃₂O₂
• Molecular Weight: 328.49
• CAS Registry Number: 1239-79-8
• SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C
• InChI: 1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17-,18+,19+,20-,21+,22+/m1/s1
• InChIKey: JYYRDDFNMDZIIP-SMWISZJMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 453.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 169.0±25.7°C (Cal.)
• Refractive index: 1.537 (Cal.)