Card-20(22)-enolide, 14-hydroxy-3-((((6-methoxy-1,6-dioxohexyl)amino)acetyl)oxy)-, (3-beta,5-beta)-

Base Information

• Chemical Name: Card-20(22)-enolide, 14-hydroxy-3-((((6-methoxy-1,6-dioxohexyl)amino)acetyl)oxy)-, (3-beta,5-beta)-
• CAS No.: 81072-22-2
• Molecular Formula: C32H47NO8
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401001752
• Mol file: 81072-22-2.mol

Synonyms:81072-22-2;Card-20(22)-enolide, 14-hydroxy-3-((((6-methoxy-1,6-dioxohexyl)amino)acetyl)oxy)-, (3-beta,5-beta)-;C32H47NO8;C32-H47-N-O8;DTXSID401001752;LS-52478;14-Hydroxy-3-{[N-(1-hydroxy-6-methoxy-6-oxohexylidene)glycyl]oxy}card-20(22)-enolide

Chemical Property of Card-20(22)-enolide, 14-hydroxy-3-((((6-methoxy-1,6-dioxohexyl)amino)acetyl)oxy)-, (3-beta,5-beta)-

Chemical Property:

• Vapor Pressure: 3.28E-24mmHg at 25°C
• Boiling Point: 724.1°C at 760 mmHg
• Flash Point: 391.7°C
• PSA: 131.72000
• Density: 1.23g/cm³
• LogP: 4.84510
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 573.33016746
• Heavy Atom Count: 41
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CNC(=O)CCCCC(=O)OC
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CNC(=O)CCCCC(=O)OC

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