Digitoxin 100 µg/mL in Acetonitrile

CAS: 71-63-6

Ref. 04-A12633800AL-100

Product Information

• Name: Digitoxin 100 µg/mL in Acetonitrile
• Synonyms: Digitoxoside (7CI), (3β,5β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, Cardidigin, Cardigin, Carditoxin, Coramedan, Cristapurat, Crystalline digitalin, Crystodigin, Digicor, Digilong, Digimed, Digimerck, Digipural, Digisidin, Digitaline Nativelle, Digitophyllin, Digitoxigenin tridigitoxoside, Digitrin, Ditaven, Glucodigin, Lanatoxin, Myodigin, NSC 7529, Purodigin, Purpurid, Tradigal
• Brand: Doctor Ehrenstorfer

Chemical properties

• Molecular weight: 764.94
• Formula: C₄₁H₆₄O₁₃
• Color/Form: Single Solution
• InChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
• InChI key: InChIKey=WDJUZGPOPHTGOT-XUDUSOBPSA-N
• SMILES: C[C@H]1O[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]6CC[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)C[C@H](O)[C@@H]1O