17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate
[CAS# 85135-80-4]

Identification

• Name: 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate
• Synonyms: 17,21-dihydroxypregn-4-ene-3,11,20-trione 21-pivalate
• Molecular Formula: C₂₆H₃₆O₆
• Molecular Weight: 444.56
• CAS Registry Number: 85135-80-4
• EINECS: 285-701-1
• SMILES: CC(C)(C)C(=O)OCC(=O)[C@@]4(O)CC[C@H]3[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2C(=O)C[C@@]34C
• InChI: 1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-18,21,31H,6-11,13-14H2,1-5H3/t17-,18-,21+,24-,25-,26-/m0/s1
• InChIKey: VHNVULANWDGFPT-MOAAPXTLSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 595.021°C at 760 mmHg (Cal.)
• Flash point: 195.813°C (Cal.)