alpha-Acetyldigoxin
[CAS# 5511-98-8]

Identification

• Name: alpha-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-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-2-Methyl-Tetrahydropyran-4-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-Tetrahydropyranyl]Methoxy]-4-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-2-Methyl-4-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-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₄₃H₆₆O₁₅
• Molecular Weight: 822.99
• CAS Registry Number: 5511-98-8
• EINECS: 226-855-1
• SMILES: C(OC2OC(C(OC1OC(C(O)C(OC(=O)C)C1)C)C(O)C2)C)C8OC(OC7CC6C(C5C(C3(O)C(C(CC3)C4=CC(OC4)=O)(C(O)C5)C)CC6)(CC7)C)CC(O)C8
• InChI: 1S/C43H66O15/c1-21-39(49)33(55-23(3)44)18-38(53-21)58-40-22(2)54-36(17-32(40)46)52-20-28-14-26(45)15-37(57-28)56-27-8-10-41(4)25(13-27)6-7-30-31(41)16-34(47)42(5)29(9-11-43(30,42)50)24-12-35(48)51-19-24/h12,21-22,25-34,36-40,45-47,49-50H,6-11,13-20H2,1-5H3
• InChIKey: KIOXJNPWRPISHM-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 935.606°C at 760 mmHg (Cal.)
• Flash point: 275.382°C (Cal.)