3,19,20-Trioxopregn-4-en-21-yl acetate
[CAS# 88378-35-2]

Identification

• Name: 3,19,20-Trioxopregn-4-en-21-yl acetate
• Synonyms: 19-oxo-11-deoxycorticosterone acetate; 19-Oxo-doca
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.48
• CAS Registry Number: 88378-35-2
• SMILES: O=C(OCC(=O)[C@H]1CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@]3(C=O)/C(=C\C(=O)CC3)CC4)C
• InChI: 1S/C23H30O5/c1-14(25)28-12-21(27)20-6-5-18-17-4-3-15-11-16(26)7-10-23(15,13-24)19(17)8-9-22(18,20)2/h11,13,17-20H,3-10,12H2,1-2H3/t17-,18-,19-,20+,22-,23+/m0/s1
• InChIKey: QFLMESOQPFFEMD-ZNHHMURHSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 538.338°C at 760 mmHg (Cal.)
• Flash point: 233.397°C (Cal.)