(9beta,11alpha,16alpha)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione
[CAS# 94088-91-2]

Identification

• Name: (9beta,11alpha,16alpha)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione
• Synonyms: 9β,11β-epoxy-16α,17,21-trihydroxypregna-1,4-diene-3,20-dione
• Molecular Formula: C₂₁H₂₆O₆
• Molecular Weight: 374.43
• CAS Registry Number: 94088-91-2
• EINECS: 302-094-1
• SMILES: OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]5CCC1=CC(=O)C=C[C@]1(C)[C@@]54O[C@H]4C[C@@]23C
• InChI: 1S/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3/t13-,14-,15+,17-,18-,19-,20-,21+/m0/s1
• InChIKey: MJJGOAZIKWEYHG-APPPZISSSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 585.633°C at 760 mmHg (Cal.)
• Flash point: 208.172°C (Cal.)