(16alpha)-16,17-Dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
[CAS# 77017-20-0]

Identification

• Name: (16alpha)-16,17-Dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
• Synonyms: 16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
• Molecular Formula: C₂₃H₂₈O₆
• Molecular Weight: 400.46
• CAS Registry Number: 77017-20-0
• EINECS: 278-593-2
• SMILES: O=C(OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@H]4/C(=C\C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3CC4)C)C
• InChI: 1S/C23H28O6/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/h6-8,10,16,18-19,26,28H,4-5,9,11-12H2,1-3H3/t16-,18+,19-,21+,22+,23+/m1/s1
• InChIKey: LUROGHOZLOFASD-ZPDKUKPCSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 576.748°C at 760 mmHg (Cal.)
• Flash point: 198.046°C (Cal.)