beta-Acetyldigitoxin
[CAS# 1264-51-3]

Identification

• Name: beta-Acetyldigitoxin
• Synonyms: [4-Hydroxy-6-[4-Hydroxy-6-[4-Hydroxy-6-[[14-Hydroxy-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]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [4-Hydroxy-6-[[4-Hydroxy-6-[[4-Hydroxy-6-[[14-Hydroxy-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]-2-Methyl-3-Tetrahydropyranyl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Oxy]-2-Methyl-3-Tetrahydropyranyl] Ester; Acetic Acid [4-Hydroxy-6-[4-Hydroxy-6-[4-Hydroxy-6-[[14-Hydroxy-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]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₃H₆₆O₁₄
• Molecular Weight: 806.99
• CAS Registry Number: 1264-51-3
• 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)CC6)(CCC7C8=CC(=O)OC8)O
• InChI: 1S/C43H66O14/c1-21-38(54-24(4)44)31(45)18-36(52-21)56-40-23(3)53-37(19-33(40)47)57-39-22(2)51-35(17-32(39)46)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(48)50-20-25/h15,21-23,26-33,35-40,45-47,49H,7-14,16-20H2,1-6H3
• InChIKey: AFTNEYIAJGSGIX-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 902.239°C at 760 mmHg (Cal.)
• Flash point: 265.032°C (Cal.)