Gualenic acid

Base Information

• Chemical Name: Gualenic acid
• CAS No.: 16915-32-5
• Molecular Formula: C15H18O3S
• Molecular Weight: 278.372
• UNII: GR01836V0K
• DSSTox Substance ID: DTXSID10168665
• Nikkaji Number: J3.564.993J
• Wikidata: Q27279235
• NCI Thesaurus Code: C80555
• ChEMBL ID: CHEMBL1852533
• Mol file: 16915-32-5.mol

Synonyms:Gualenic acid;16915-32-5;3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid;UNII-GR01836V0K;1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-;azulene sulfonate;5-Isopropyl-3,8-dimethylazulene-1-sulfonic acid;GR01836V0K;guaiazulenesulfonic acid sodium;sodium-gualenate;Guaiazulene sulfonate;1,4-dimethyl-7-isopropylazulene-3-sulfonic acid;SCHEMBL2734180;GUALENIC ACID [WHO-DD];CHEMBL1852533;DTXSID10168665;CHEBI:135153;LS-194368;J3.564.993J;EN300-25302803;3,8-dimethyl-5-(propan-2-yl)azulene-1-sulfonic acid;Q27279235

Chemical Property of Gualenic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 278.09766561
• Heavy Atom Count: 19
• Complexity: 410

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)O