3Β-[(6-Deoxy-3-O-Methyl-a-L-Glucopyranosyl)Oxy]-7b,8-Epoxy-14-Hydroxy-5b-Card-20(22)-Enolide
[CAS# 4589-95-1]

Identification

• Name: 3Β-[(6-Deoxy-3-O-Methyl-a-L-Glucopyranosyl)Oxy]-7b,8-Epoxy-14-Hydroxy-5b-Card-20(22)-Enolide
• Synonyms: Tanghinin, Deacetyl- (8Ci)
• Molecular Formula: C₃₀H₄₄O₉
• Molecular Weight: 548.67
• CAS Registry Number: 4589-95-1
• SMILES: CC56C(C14OC1CC3CC(OC2C(C(OC)C(C(O2)C)O)O)CCC3(C4CC5)C)(CCC6C7=CC(=O)OC7)O
• InChI: 1S/C30H44O9/c1-15-23(32)25(35-4)24(33)26(37-15)38-18-5-8-27(2)17(12-18)13-21-30(39-21)20(27)7-9-28(3)19(6-10-29(28,30)34)16-11-22(31)36-14-16/h11,15,17-21,23-26,32-34H,5-10,12-14H2,1-4H3
• InChIKey: LVGNJQMAMYJAIL-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 732.89°C at 760 mmHg (Cal.)
• Flash point: 237.885°C (Cal.)