12-O-Methylcarnosic acid

Base Information

• Chemical Name: 12-O-Methylcarnosic acid
• CAS No.: 62201-71-2
• Molecular Formula: C21H30O4
• Molecular Weight: 346.46
• European Community (EC) Number: 804-207-4
• Nikkaji Number: J730.361K
• Wikidata: Q76414910
• Metabolomics Workbench ID: 122156
• ChEMBL ID: CHEMBL1096627
• Mol file: 62201-71-2.mol

Synonyms:12-O-Methylcarnosic acid;62201-71-2;(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid;12-Methoxycarnosic acid;SCHEMBL9923660;CHEMBL1096627;HY-N7510;AKOS040760925;MS-25330;PD158737;XM165812;CS-0131115;12-Methoxycarnosic acid, >=95% (LC/MS-ELSD)

Chemical Property of 12-O-Methylcarnosic acid

Chemical Property:

• Boiling Point: 505.1±50.0 °C(Predicted)
• PKA: 4.12±0.40(Predicted)
• PSA: 66.76000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 4.61910
• Storage Temp.: ?20°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 346.21440943
• Heavy Atom Count: 25
• Complexity: 514

Purity/Quality:

99%, ^*data from raw suppliers

12-?O-?MethylcarnosicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC
• Isomeric SMILES: CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)OC
• Uses: 12-?O-?Methylcarnosic Acid is a metabolite of Carnosic Acid (C184180), a phenolic component of rosemary. It acts as a potent antioxdant and also has UV protective activity. Specifically protection for UV-A radiation and damage.