3beta-[(2,6-Dideoxy-3-O-Methyl-beta-D-Lyxo-Hexopyranosyl)Oxy]-14-Hydroxy-16beta-(3-Methyl-1-Oxobutyloxy)-5beta-Card-20(22)-Enolide
[CAS# 14259-51-9]

Identification

• Name: 3beta-[(2,6-Dideoxy-3-O-Methyl-beta-D-Lyxo-Hexopyranosyl)Oxy]-14-Hydroxy-16beta-(3-Methyl-1-Oxobutyloxy)-5beta-Card-20(22)-Enolide
• Synonyms: [14-Hydroxy-3-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [14-Hydroxy-3-[(5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; 3-Methylbutyric Acid [14-Hydroxy-3-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₃₅H₅₄O₉
• Molecular Weight: 618.81
• CAS Registry Number: 14259-51-9
• SMILES: C(C(OC1CC5(C(C1C2=CC(=O)OC2)(CCC6C4(CCC(OC3OC(C(O)C(C3)OC)C)CC4CCC56)C)C)O)=O)C(C)C
• InChI: 1S/C35H54O9/c1-19(2)13-29(37)44-27-17-35(39)25-8-7-22-15-23(43-30-16-26(40-6)32(38)20(3)42-30)9-11-33(22,4)24(25)10-12-34(35,5)31(27)21-14-28(36)41-18-21/h14,19-20,22-27,30-32,38-39H,7-13,15-18H2,1-6H3
• InChIKey: UHDLSEIMWUMGBH-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 715.274°C at 760 mmHg (Cal.)
• Flash point: 217.957°C (Cal.)