3Β-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxocarda-5,20(22)-Dienolide
[CAS# 468-15-5]

Identification

• Name: 3Β-(beta-D-Glucopyranosyloxy)-14-Hydroxy-19-Oxocarda-5,20(22)-Dienolide
• Synonyms: 14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; 14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₉H₄₀O₁₀
• Molecular Weight: 548.63
• CAS Registry Number: 468-15-5
• SMILES: C(C6C(O)C(C(C(OC5CC4=CCC3C2(C(C(C1=CC(=O)OC1)CC2)(CCC3C4(CC5)C=O)C)O)O6)O)O)O
• InChI: 1S/C29H40O10/c1-27-7-5-19-20(29(27,36)9-6-18(27)15-10-22(32)37-13-15)3-2-16-11-17(4-8-28(16,19)14-31)38-26-25(35)24(34)23(33)21(12-30)39-26/h2,10,14,17-21,23-26,30,33-36H,3-9,11-13H2,1H3
• InChIKey: CFPNJUAQPQFPOD-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 782.28°C at 760 mmHg (Cal.)
• Flash point: 256.848°C (Cal.)