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4′-O-Methylcatechin , CAS No.69912-75-0

COA

Cas Number: 69912-75-0
Molecular Weight: 304.29
PubChem CID: 9995184

In stock

Item Number

O346398

Grouped product items
SKU	Size	Availability	Price	Qty
O346398-2.5mg	2.5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90

Discover 4′-O-Methylcatechin by Aladdin Scientific in for only $223.90. Available - in Ligands at Aladdin Scientific. a metabolite of (+)-Catechin Tags: .

Basic Description

Synonyms	CHEBI:174914 \| 4'-O-Methylcatechin \| LMPK12020113 \| (2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol \| SCHEMBL349872 \| Catechin 4'-methyl ether \| DTXSID80433913
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4'-O-Methylcatechin is a metabolite of (+)-Catechin, a major polyphenol in many fruits and vegetables.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavans
      - Level5 Flavan-3-ols
        Level6 Catechins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavans
Intermediate Tree Nodes	Flavan-3-ols
Direct Parent	Catechins
Alternative Parents	4'-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 1-benzopyrans Methoxyphenols Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Catechin - 4p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
External Descriptors	Flavans, Flavanols and Leucoanthocyanidins
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
INCHI	InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
InChIKey	ZHDMPVIDHWJGTN-XJKSGUPXSA-N
Smiles	COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
Isomeric SMILES	COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)O
Molecular Weight	304.29
Reaxy-Rn	53237858
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53237858&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.290 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	304.095 Da
Monoisotopic Mass	304.095 Da
Topological Polar Surface Area	99.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	378.000
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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