(6beta)-6-Methyl-Pregn-4-ene-3,20-dione
[CAS# 2300-06-3]

Identification

• Name: (6beta)-6-Methyl-Pregn-4-ene-3,20-dione
• Synonyms: (6R,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-6,10,13-Trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Nsc17255; Pregn-4-Ene-3,20-Dione, 6-Methyl-, (6.Beta.)-
• Molecular Formula: C₂₂H₃₂O₂
• Molecular Weight: 328.49
• CAS Registry Number: 2300-06-3
• SMILES: [C@H]1([C@]4(C)[C@@H](CC1)[C@@H]3C[C@H](C2=CC(=O)CC[C@]2(C)[C@H]3CC4)C)C(C)=O
• InChI: 1S/C22H32O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12-13,16-19H,5-11H2,1-4H3/t13-,16+,17-,18+,19+,21-,22-/m1/s1
• InChIKey: GNFABWAPJFOZSF-PFOMDNQCSA-N

Properties

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