Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-

Base Information

• Chemical Name: Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-
• CAS No.: 97817-83-9
• Molecular Formula: C42H56BrNO10
• Molecular Weight: 814.7987
• DSSTox Substance ID: DTXSID30913634
• Mol file: 97817-83-9.mol

Synonyms:97817-83-9;Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-;C42H56NO10.Br;DTXSID30913634;C42-H56-N-O10.Br;LS-52433;5,14-Dihydroxy-3-[({3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium-8-yl}acetyl)oxy]-19-oxocard-15-enolide bromide

Chemical Property of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 813.30876
• Heavy Atom Count: 54
• Complexity: 1480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1(C=CC2C4CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)C[N+]6(C7CCC6CC(C7)OC(=O)C(CO)C8=CC=CC=C8)C)C=O)O.[Br-]
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H](C1(C=C[C@H]2C4CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C[N+]6([C@H]7CCC6CC(C7)OC(=O)C(CO)C8=CC=CC=C8)C)C=O)O.[Br-]