(3beta,5beta)-3-((6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)oxy)-5,14-dihydroxy-19-oxo-Bufa-20,22-dienolide
[CAS# 122188-47-0]

Identification

• Name: (3beta,5beta)-3-((6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)oxy)-5,14-dihydroxy-19-oxo-Bufa-20,22-dienolide
• Synonyms: 3-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 3-[(3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; 3-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₁H₄₄O₁₀
• Molecular Weight: 576.68
• CAS Registry Number: 122188-47-0
• SMILES: CC1C(C(C(C(O1)OC2CC3(C(CC2)(C4C(CC3)C5(C(CC4)(C(CC5)C6=COC(C=C6)=O)C)O)C=O)O)O)OC)O
• InChI: 1S/C31H44O10/c1-17-24(34)26(38-3)25(35)27(40-17)41-19-6-11-29(16-32)21-7-10-28(2)20(18-4-5-23(33)39-15-18)9-13-31(28,37)22(21)8-12-30(29,36)14-19/h4-5,15-17,19-22,24-27,34-37H,6-14H2,1-3H3
• InChIKey: IYIDZTVCBFMPEN-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 765.8°C at 760 mmHg (Cal.)
• Flash point: 245.836°C (Cal.)