(9beta,11beta,16beta)-17,21-Dihydroxy-16-Methyl-9,11-Epoxypregna-1,4-Diene-3,20-Dione
[CAS# 14622-47-0]

Identification

• Name: (9beta,11beta,16beta)-17,21-Dihydroxy-16-Methyl-9,11-Epoxypregna-1,4-Diene-3,20-Dione
• Synonyms: 16-β Methyl Epoxide; 9β,11β-epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.45
• CAS Registry Number: 14622-47-0
• SMILES: O=C(CO)[C@]3(O)[C@]2(C[C@@H]5O[C@]45[C@@]/1(/C(=C\C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@@H]3C)C)C
• InChI: 1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
• InChIKey: GBDXNHBVYAMODG-DEGNENOVSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 564.935°C at 760 mmHg (Cal.)
• Flash point: 198.103°C (Cal.)
• Refractive index: 1.616 (Cal.)