6,7-Epoxycanrenone
[CAS# 114577-01-4]

Identification

• Name: 6,7-Epoxycanrenone
• Synonyms: 6-Alpha,7-Alpha-Epoxy-17-Alpha-Hydroxy-3-Oxopregn-4-Ene-21-Carboxylic Acid Gamma-Lactone; 6-Alpha,7-Alpha-Epoxy-Canrenone; Brn 5136576
• Molecular Formula: C₂₂H₂₈O₄
• Molecular Weight: 356.46
• CAS Registry Number: 114577-01-4
• SMILES: [C@H]35[C@H]2[C@@]([C@@]1(OC(=O)CC1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)[C@H]6O[C@@H]56)C)C
• InChI: 1S/C22H28O4/c1-20-7-3-12(23)11-15(20)18-19(25-18)17-13(20)4-8-21(2)14(17)5-9-22(21)10-6-16(24)26-22/h11,13-14,17-19H,3-10H2,1-2H3/t13-,14-,17+,18+,19-,20+,21-,22+/m0/s1
• InChIKey: FSIPNQUJIAOSNJ-VRQGMAQHSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 552.632°C at 760 mmHg (Cal.)
• Flash point: 242.78°C (Cal.)