β-Acetyl Digoxin

CAS: 5355-48-6

Ref. TR-A173665

Product Information

• Name: β-Acetyl Digoxin
• Synonyms: Card-20(22)-enolide, 3-[(O-4-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3beta,5beta,12beta)-, Digoxin, 4'''-acetate (8CI), (3beta,5beta,12beta)-3-[(O-4-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, 16'-Acetyldigoxin, 4'''-Acetyldigoxin, Digoxigenin tridigitoxoside-beta-acetate, Novodigal, beta-Acetodigoxin
• Brand: TRC
• Description: Applications Digoxin derivative, a cardiotonic glycosides steroid. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Yoshida, F., et al.: J. Med. Chem., 43, 2575 ( 2000), Turner, J., et al.: Pharm. Res., 21, 68 (2004), Wang, J., et al.: Anal. Chim. Acta, 601, 156 (2007),

Chemical properties

• Molecular weight: 822.98
• Formula: C₄₃H₆₆O₁₅
• Color/Form: Neat
• InChI: 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/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1
• InChI key: InChIKey=NREAGDHHMSOWKZ-DXJNJSHLSA-N
• SMILES: CC(=O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C