Oxisopred
[CAS# 18118-80-4]

Identification

• Name: Oxisopred
• Synonyms: 11Beta,17,21-Trihydroxy-B-Homo-A-Norpregn-1-Ene-3,6,20-Trione; B-Homo-A-Norpregn-1-Ene-3,6,20-Trione, 11Beta,17,21-Trihydroxy-; Oxisopred
• Molecular Formula: C₂₁H₂₈O₆
• Molecular Weight: 376.45
• CAS Registry Number: 18118-80-4
• SMILES: [C@H]34C1[C@@H](C2(C(C(=O)CC1)C(=O)C=C2)C)C(O)CC3([C@](O)(CC4)C(OC)=O)C
• InChI: 1S/C21H28O6/c1-19-8-7-14(23)17(19)13(22)5-4-11-12-6-9-21(26,18(25)27-3)20(12,2)10-15(24)16(11)19/h7-8,11-12,15-17,24,26H,4-6,9-10H2,1-3H3/t11?,12-,15?,16+,17?,19?,20?,21-/m0/s1
• InChIKey: KRYLHOFPHHPHIN-DLQOZDSXSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 531.294°C at 760 mmHg (Cal.)
• Flash point: 183.889°C (Cal.)