Dehydroagastol

Base Information

• Chemical Name: Dehydroagastol
• CAS No.: 142182-52-3
• Molecular Formula: C21H26 O4
• Molecular Weight: 342.43
• DSSTox Substance ID: DTXSID20161965
• Wikidata: Q83030442
• Mol file: 142182-52-3.mol

Synonyms:19(4-3)abeo-11,14-dihydroxy-12-methoxy-abieta-8,11,13,15-tetraen-7-one;dehydroagastol

Chemical Property of Dehydroagastol

Chemical Property:

• Vapor Pressure: 3.51E-12mmHg at 25°C
• Boiling Point: 537.8°Cat760mmHg
• PKA: 7.95±0.60(Predicted)
• Flash Point: 188.6°C
• PSA: 66.76000
• Density: 1.19g/cm³
• LogP: 4.58590
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.18310931
• Heavy Atom Count: 25
• Complexity: 597

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C
• Isomeric SMILES: C[C@H]1CC[C@]2([C@H](C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C