Ethoxycarbonyldigoxin

Base Information

• Chemical Name: Ethoxycarbonyldigoxin
• CAS No.: 73987-52-7
• Molecular Formula: C44H68O16
• Mol file: 73987-52-7.mol

Synonyms:Ethoxycarbonyldigoxin;Carbaethoxydigoxin;Carbaethoxydigoxin [German];73987-52-7;Digoxin, ethoxycarbonyl-;Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, mono(ethyl carbonate), (3.beta.,5.beta.,12.beta.)-

Chemical Property of Ethoxycarbonyldigoxin

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 852.45073608
• Heavy Atom Count: 60
• Complexity: 1590

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)OC12CCC(C1(C(CC3C2CCC4C3(CCC(C4)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)O)OC7CC(C(C(O7)C)O)O)C)O)C)C8=CC(=O)OC8
• Isomeric SMILES: CCOC(=O)OC12CC[C@@H]([C@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[C@@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@@H]([C@@H]([C@H](O6)C)O)O)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)O)C)O)C)C8=CC(=O)OC8