7-Deacetoxyolepupuane

Base Information

• Chemical Name: 7-Deacetoxyolepupuane
• CAS No.: 134822-40-5
• Molecular Formula: C17H26 O3
• Molecular Weight: 278.38654
• DSSTox Substance ID: DTXSID70928767
• Nikkaji Number: J903.885J
• Metabolomics Workbench ID: 136501
• ChEMBL ID: CHEMBL464204
• Mol file: 134822-40-5.mol

Synonyms:7-deacetoxyolepupuane

Chemical Property of 7-Deacetoxyolepupuane

Chemical Property:

• Vapor Pressure: 2.61E-05mmHg at 25°C
• Boiling Point: 358.1°Cat760mmHg
• Flash Point: 149.3°C
• PSA: 35.53000
• Density: 1.08g/cm³
• LogP: 4.03230
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 278.18819469
• Heavy Atom Count: 20
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C2C(=CO1)CCC3C2(CCCC3(C)C)C
• Isomeric SMILES: CC(=O)O[C@H]1[C@H]2C(=CO1)CC[C@@H]3[C@@]2(CCCC3(C)C)C

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