(16alpha)-16,17-Epoxypregna-4,9(11)-diene-3,20-dione
[CAS# 94088-90-1]

Identification

• Name: (16alpha)-16,17-Epoxypregna-4,9(11)-diene-3,20-dione
• Synonyms: 16α,17-epoxypregna-4,9(11)-diene-3,20-dione
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 94088-90-1
• EINECS: 302-093-6
• SMILES: CC(=O)[C@@]53O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)C4=CC[C@@]23C
• InChI: 1S/C21H26O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h7,10,15,17-18H,4-6,8-9,11H2,1-3H3/t15-,17+,18-,19+,20+,21-/m1/s1
• InChIKey: IPXGZQHGJWTQTD-UERYMFTHSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 481.811°C at 760 mmHg (Cal.)
• Flash point: 211.735°C (Cal.)