2alpha,3beta-[[(3aR,4S,7aR)-7,7alpha-Dihydro-4H-1,3-Dioxolo[4,5-c]Pyran-3a,4(6H)-Diyl]Bis(Oxy)]-11alpha,14-Dihydroxy-12-Oxocarda-4,20(22)-Dienolide
[CAS# 64144-98-5]

Identification

• Name: 2alpha,3beta-[[(3aR,4S,7aR)-7,7alpha-Dihydro-4H-1,3-Dioxolo[4,5-c]Pyran-3a,4(6H)-Diyl]Bis(Oxy)]-11alpha,14-Dihydroxy-12-Oxocarda-4,20(22)-Dienolide
• Synonyms: Elaeodendroside A; Nsc270926
• Molecular Formula: C₂₉H₃₆O₁₀
• Molecular Weight: 544.60
• CAS Registry Number: 64144-98-5
• SMILES: CC47C(C3CCC2=CC1OC6C5(OC1CC2(C3C(C4=O)O)C)OCOC5CCO6)(CCC7C8=CC(=O)OC8)O
• InChI: 1S/C29H36O10/c1-26-11-19-18(38-25-29(39-19)20(6-8-34-25)36-13-37-29)10-15(26)3-4-17-22(26)23(31)24(32)27(2)16(5-7-28(17,27)33)14-9-21(30)35-12-14/h9-10,16-20,22-23,25,31,33H,3-8,11-13H2,1-2H3
• InChIKey: FFADSNLFGAQRCS-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 745.187°C at 760 mmHg (Cal.)
• Flash point: 247.52°C (Cal.)