(16alpha)-16,17-Dihydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl acetate
[CAS# 74220-43-2]

Identification

• Name: (16alpha)-16,17-Dihydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl acetate
• Synonyms: 16α,17,21-trihydroxypregna-4,9(11)-diene-3,20-dione 21-acetate
• Molecular Formula: C₂₃H₃₀O₆
• Molecular Weight: 402.48
• CAS Registry Number: 74220-43-2
• EINECS: 277-774-3
• SMILES: CC(=O)OCC(=O)[C@@]2(O)[C@H](O)C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]12C
• InChI: 1S/C23H30O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h7,10,16,18-19,26,28H,4-6,8-9,11-12H2,1-3H3/t16-,18+,19-,21+,22+,23+/m1/s1
• InChIKey: MHKSVJLDCGZOIC-ZPDKUKPCSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 571.479°C at 760 mmHg (Cal.)
• Flash point: 195.039°C (Cal.)