3,14,15-Trihydroxy-19-oxocard-20(22)-enolide

Base Information

• Chemical Name: 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
• CAS No.: 14155-65-8
• Molecular Formula: C23H32 O6
• Molecular Weight: 404.55
• DSSTox Substance ID: DTXSID10931119
• Mol file: 14155-65-8.mol

Synonyms:5-alpha-Card-20(22)-enolide, 3-beta,14,15-beta-trihydroxy-19-oxo-;DTXSID10931119;LS-52486;3,14,15-Trihydroxy-19-oxocard-20(22)-enolide

Chemical Property of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide

Chemical Property:

• Vapor Pressure: 3.22E-17mmHg at 25°C
• Boiling Point: 606°Cat760mmHg
• Flash Point: 209.2°C
• PSA: 104.06000
• Density: 1.406g/cm³
• LogP: 1.75410
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 404.21988874
• Heavy Atom Count: 29
• Complexity: 763

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(C(CC2C4=CC(=O)OC4)O)O)CCC5C3(CCC(C5)O)C=O
• Isomeric SMILES: C[C@]12CCC3C([C@]1([C@@H](C[C@@H]2C4=CC(=O)OC4)O)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O