[3,5-dihydroxy-2-methyl-6-[[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-4-yl] anthracene-9-carboxylate

Base Information

• Chemical Name: [3,5-dihydroxy-2-methyl-6-[[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-4-yl] anthracene-9-carboxylate
• CAS No.: 62026-02-2
• Molecular Formula: C44H52O13
• Molecular Weight: 788.8759
• European Community (EC) Number: 636-393-6
• Mol file: 62026-02-2.mol

Synonyms:anthroylouabain

Chemical Property of [3,5-dihydroxy-2-methyl-6-[[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-4-yl] anthracene-9-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.49g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 788.34079171
• Heavy Atom Count: 57
• Complexity: 1570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)C7=C8C=CC=CC8=CC9=CC=CC=C97)O