3beta,2alpha-[[(2S,3S,4R,5S,6R)-Tetrahydro-3,4,5-Trihydroxy-6-Methyl-2H-Pyran-2,3-Diyl]Bisoxy]-14-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
[CAS# 20304-49-8]

Identification

• Name: 3beta,2alpha-[[(2S,3S,4R,5S,6R)-Tetrahydro-3,4,5-Trihydroxy-6-Methyl-2H-Pyran-2,3-Diyl]Bisoxy]-14-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
• Synonyms: 5-Alpha-Card-20(22)-Enolide, 3-Beta-((6-Deoxy-Beta-D-Hexopyranos-2-Ulos-1-Yl)Oxy)-2-Alpha,14-Dihydroxy-19-Oxo-; 5-Alpha-Card-20(22)-Enolide, 3-Beta-((6-Deoxy-Beta-D-Hexopyranos-2-Ulos-1-Yl)Oxy)2-Alpha,14-Dihydroxy-19-Oxo-; Brn 0072512
• Molecular Formula: C₂₉H₄₀O₁₀
• Molecular Weight: 548.63
• CAS Registry Number: 20304-49-8
• SMILES: CC12CCC6C(C1(CCC2C3=CC(=O)OC3)O)CCC7CC5OC4C(C(C(C(C)O4)O)O)(OC5CC67C=O)O
• InChI: 1S/C29H40O10/c1-14-23(32)24(33)29(35)25(37-14)38-20-10-16-3-4-19-18(27(16,13-30)11-21(20)39-29)5-7-26(2)17(6-8-28(19,26)34)15-9-22(31)36-12-15/h9,13-14,16-21,23-25,32-35H,3-8,10-12H2,1-2H3
• InChIKey: LYSHVSOMKBORDM-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 760.797°C at 760 mmHg (Cal.)
• Flash point: 250.34°C (Cal.)