14-deoxycoleon U

Base Information

• Chemical Name: 14-deoxycoleon U
• CAS No.: 88664-09-9
• Molecular Formula: C20H26O4
• Molecular Weight: 330.41800
• DSSTox Substance ID: DTXSID801316595
• Nikkaji Number: J865.453K
• Wikidata: Q104399752,Q105128531
• Metabolomics Workbench ID: 138661
• ChEMBL ID: CHEMBL488040,CHEMBL3806074
• Mol file: 88664-09-9.mol

Synonyms:14-deoxycoleon U

Chemical Property of 14-deoxycoleon U

Chemical Property:

• PSA: 77.76000
• LogP: 4.69740
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 330.18310931
• Heavy Atom Count: 24
• Complexity: 576

Purity/Quality:

98%Min ^*data from raw suppliers

14-DeoxycoleonU 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)O)O
• Isomeric SMILES: CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C3[C@@]2(CCCC3(C)C)C)O)O)O