(11beta)-11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl Valerate
[CAS# 39791-31-6]

Identification

• Name: (11beta)-11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl Valerate
• Synonyms: 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-valerate
• Molecular Formula: C₂₆H₃₆O₆
• Molecular Weight: 444.56
• CAS Registry Number: 39791-31-6
• EINECS: 254-633-4
• SMILES: CCCCC(=O)OCC(=O)[C@@]2(O)CC[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
• InChI: 1S/C26H36O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h9,11,13,18-20,23,28,31H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
• InChIKey: XOWYKRJPTXTGHW-FZNHGJLXSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 606.664°C at 760 mmHg (Cal.)
• Flash point: 200.388°C (Cal.)