(3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Base Information

• Chemical Name: (3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
• CAS No.: 40737-97-1
• Molecular Formula: C15H20O4
• Molecular Weight: 264.321
• DSSTox Substance ID: DTXSID00331780
• Wikidata: Q27106798
• Mol file: 40737-97-1.mol

Synonyms:Granilin;40737-97-1;(3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one;C09470;CHEBI:5536;DTXSID00331780;AKOS040759566;Q27106798

Chemical Property of (3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Chemical Property:

• Vapor Pressure: 8.43E-11mmHg at 25°C
• Boiling Point: 469.8°C at 760 mmHg
• Flash Point: 177.4°C
• PSA: 66.76000
• Density: 1.24g/cm³
• LogP: 1.18220
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 469

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3C(CC1C(=C)C(CC2O)O)C(=C)C(=O)O3
• Isomeric SMILES: C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)[C@H](C[C@H]2O)O)C(=C)C(=O)O3

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