ChemicalBook--->CAS DataBase List--->62201-71-2

62201-71-2

62201-71-2 Structure

62201-71-2 Structure
IdentificationBack Directory
[Name]

12-O-Methylcarnosic acid
[CAS]

62201-71-2
[Synonyms]

12-Methoxycarnosic acid
12-O-Methylcarnosic acid
Carnosic acid 12-methyl ether
12-Methoxycarnosic acid >=95% (LC/MS-ELSD)
(4aR,10aS)-5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-1,3,4,9,10,10a-hexahydrophenanthrene-4a(2H)-carboxylicaci
4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5-hydroxy-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,10aS)-
[Molecular Formula]

C21H30O4
[MDL Number]

MFCD24849312
[MOL File]

62201-71-2.mol
[Molecular Weight]

346.46
Chemical PropertiesBack Directory
[Boiling point ]

505.1±50.0 °C(Predicted)
[density ]

1.131±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO : 50 mg/mL (144.32 mM; Need ultrasonic)
[form ]

A solid
[pka]

4.12±0.40(Predicted)
[color ]

White to yellow
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
[InChIKey]

QQNSARJGBPMQDI-YCRPNKLZSA-N
[SMILES]

COc1c(O)c2c(CC[C@H]3C(C)(C)CCC[C@]23C(O)=O)cc1C(C)C
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[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.
[Biological Activity]

12-Methoxycarnosic acid is known to possess in vitro antileishmanial activity. It also functions as an antioxidant.
Spectrum DetailBack Directory
[Spectrum Detail]

12-O-Methylcarnosic acid(62201-71-2)1HNMR
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