8beta,14beta-Epoxy-3beta-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 6246-57-7]

Identification

• Name: 8beta,14beta-Epoxy-3beta-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 5-Beta-Card-20(22)-Enolide, 8,14-Epoxy-3-Beta-Hydroxy-; Adynerigenin; Adynerigenine
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50
• CAS Registry Number: 6246-57-7
• SMILES: [C@]145OC12C([C@@]3([C@H](CC2)C[C@@H](O)CC3)C)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• InChI: 1S/C23H32O4/c1-20-7-4-16(24)12-15(20)3-9-22-18(20)6-8-21(2)17(5-10-23(21,22)27-22)14-11-19(25)26-13-14/h11,15-18,24H,3-10,12-13H2,1-2H3/t15-,16+,17-,18?,20+,21-,22?,23-/m1/s1
• InChIKey: NPQJYTKOLRTWRO-YAZHADFSSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 553.126°C at 760 mmHg (Cal.)
• Flash point: 192.048°C (Cal.)