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12-Methoxycarnosic acid - ≥95% (LC/MS-ELSD), high purity , CAS No.62201-71-2
Basic Description
Synonyms
(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid | SCHEMBL9923660 | HY-N7510 | XM165812 | AKOS040760925 | 12-O-Methylcarnosic acid | 12-Methoxycarnosic acid, >=95% (LC/MS-ELSD) | PD158737 |
Specifications & Purity
≥95%(LC/MS-ELSD)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
12-Methoxycarnosic acid is a natural product derived from a plant source. It is a diterpene and can be sourced from Salvia microphylla.12-Methoxycarnosic acid has been used as a standardin high performance liquid chromatography (HPLC),to identify major constituents in rosemary leaves.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Diterpenoids
Alternative Parents
Hydrophenanthrenes Naphthalenecarboxylic acids Tetralins Cumenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Abietane diterpenoid - Diterpenoid - Phenanthrene - Hydrophenanthrene - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Tetralin - Cumene - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
INCHI
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
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
UN Number
3077
Molecular Weight
346.46
Reaxy-Rn
58816930
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58816930&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
346.500 g/mol
XLogP3
5.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
346.214 Da
Monoisotopic Mass
346.214 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
514.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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