2a-Methyl-4-pregnene-3,20-dione
[CAS# 2636-91-1]

Identification

• Name: 2a-Methyl-4-pregnene-3,20-dione
• Synonyms: (2R,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-2,10,13-Trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (2-Alpha)-2-Methylpreg-4-Ene-3,20-Dione; 2-Alpha-Methylprogesterone
• Molecular Formula: C₂₂H₃₂O₂
• Molecular Weight: 328.49
• CAS Registry Number: 2636-91-1
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)[C@@H](C3)C)CC4)C)C
• InChI: 1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13-,16+,17-,18+,19+,21-,22+/m1/s1
• InChIKey: SGQKAJDGWMDIOH-YJIAGASKSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 453.66°C at 760 mmHg (Cal.)
• Flash point: 168.965°C (Cal.)