3beta-[(2-O-Acetyl-6-Deoxy-3-O-Methyl-alpha-L-Glucopyranosyl)Oxy]-11alpha,12alpha-Epoxy-14-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 7227-00-1]

Identification

• Name: 3beta-[(2-O-Acetyl-6-Deoxy-3-O-Methyl-alpha-L-Glucopyranosyl)Oxy]-11alpha,12alpha-Epoxy-14-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: Cerbertin
• Molecular Formula: C₃₂H₄₄O₁₁
• Molecular Weight: 604.69
• CAS Registry Number: 7227-00-1
• SMILES: [C@]16([C@@](O)([C@H]3[C@H]([C@@H]2O[C@H]12)[C@@]5([C@H](CC3)C[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@@H](OC)[C@@H]4OC(=O)C)C)CC5)C=O)CC[C@@H]6C7=CC(OC7)=O)C
• InChI: 1S/C32H44O11/c1-15-24(36)26(38-4)27(41-16(2)34)29(40-15)42-19-7-9-31(14-33)18(12-19)5-6-21-23(31)25-28(43-25)30(3)20(8-10-32(21,30)37)17-11-22(35)39-13-17/h11,14-15,18-21,23-29,36-37H,5-10,12-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-/m0/s1
• InChIKey: NIVUJUXAQJVVHT-SXAYMNBUSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 749.824°C at 760 mmHg (Cal.)
• Flash point: 238.447°C (Cal.)