(4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Base Information

• Chemical Name: (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
• CAS No.: 1782-65-6
• Molecular Formula: C20H28O3
• Molecular Weight: 316.4345
• DSSTox Substance ID: DTXSID90939052
• Wikidata: Q72481058
• Mol file: 1782-65-6.mol

Synonyms:hardwickic acid;hardwickic acid, (-)-isomer;hardwickiic acid

Chemical Property of (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.64E-08mmHg at 25°C
• Boiling Point: 427.2°Cat760mmHg
• Flash Point: 212.2°C
• PSA: 50.44000
• Density: 1.068g/cm³
• LogP: 5.07570
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.20384475
• Heavy Atom Count: 23
• Complexity: 497

Purity/Quality:

99%, ^*data from raw suppliers

Hardwickiicacid ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)C
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@]1(C)CCC3=COC=C3)CCC=C2C(=O)O)C