5,20-dihydroxy-6,7-epoxy-1-oxo-5-witha-2,24-dienolide
[CAS# 34199-22-9]

Identification

• Name: 5,20-dihydroxy-6,7-epoxy-1-oxo-5-witha-2,24-dienolide
• Synonyms: Ergosta-2,24-Dien-26-Oic Acid, 6,7-Epoxy-5,20,22-Trihydroxy-1-Oxo-, Delta-Lactone, (5Alpha,6Alpha,7Alpha)-; 5,20-Dihydroxy-6,7-Epoxy-1-Oxo-5-Witha-2,24-Dienolide; 5,20Alpha(R)-Dihydroxy-6Alpha,7Alpha-Epoxy-1-Oxo-(5Alpha)-Witha-2,24-Dienolide
• Molecular Formula: C₂₈H₃₈O₆
• Molecular Weight: 470.60
• CAS Registry Number: 34199-22-9
• SMILES: [C@H]14[C@@H]([C@@]3([C@@](O)([C@H]2O[C@@H]12)CC=CC3=O)C)CC[C@]5([C@H]4CC[C@@H]5[C@@](O)(C6OC(=O)C(=C(C6)C)C)C)C
• InChI: 1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20?,21-,22-,23-,25-,26-,27+,28-/m0/s1
• InChIKey: DXWHOKCXBGLTMQ-MUCKJNAVSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 651.573°C at 760 mmHg (Cal.)
• Flash point: 215.658°C (Cal.)