beta-Acetyldigoxin
[CAS# 5355-48-6]

Identification

• Classification: Biochemical >> Carbohydrate >> Oligosaccharide
• Name: beta-Acetyldigoxin
• Synonyms: [6-[6-[6-[[12,14-Dihydroxy-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-3-Yl]Oxy]-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [6-[[6-[[6-[[12,14-Dihydroxy-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-3-Yl]Oxy]-4-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2-Methyl-3-Tetrahydropyranyl] Ester; Acetic Acid [6-[6-[6-[[12,14-Dihydroxy-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-3-Yl]Oxy]-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₃H₆₆O₁₅
• Molecular Weight: 822.99
• CAS Registry Number: 5355-48-6
• EINECS: 226-337-5
• SMILES: CC67C(C5C(C4(CCC(OC1OC(C)C(C(C1)O)OC2OC(C)C(C(C2)O)OC3OC(C)C(C(C3)O)OC(=O)C)CC4CC5)C)CC6O)(CCC7C8=CC(=O)OC8)O
• InChI: 1S/C43H66O15/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3
• InChIKey: NREAGDHHMSOWKZ-UHFFFAOYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 930.251°C at 760 mmHg (Cal.)
• Flash point: 273.591°C (Cal.)