3beta-[(6-Deoxy-3-O-Methyl-D-Glucopyranosyl)Oxy]-14,16beta-Dihydroxy-19-Oxo-5alpha-Bufa-20,22-Dienolide
[CAS# 63765-68-4]

Identification

• Name: 3beta-[(6-Deoxy-3-O-Methyl-D-Glucopyranosyl)Oxy]-14,16beta-Dihydroxy-19-Oxo-5alpha-Bufa-20,22-Dienolide
• Synonyms: 3-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-14,16-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 3-[(3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-14,16-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; 3-(3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-14,16-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₁H₄₄O₁₀
• Molecular Weight: 576.68
• CAS Registry Number: 63765-68-4
• SMILES: CC45CCC1C(CCC2C1(CCC(C2)OC3OC(C(C(C3O)OC)O)C)C=O)C4(CC(C5C6=COC(C=C6)=O)O)O
• InChI: 1S/C31H44O10/c1-16-25(35)27(38-3)26(36)28(40-16)41-19-8-11-30(15-32)18(12-19)5-6-21-20(30)9-10-29(2)24(22(33)13-31(21,29)37)17-4-7-23(34)39-14-17/h4,7,14-16,18-22,24-28,33,35-37H,5-6,8-13H2,1-3H3
• InChIKey: VAASSPZOHNNMJH-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 772.748°C at 760 mmHg (Cal.)
• Flash point: 248.336°C (Cal.)