4'-Methoxypuerarin - ≥98% , CAS No.92117-94-7

CAS: 92117-94-7 Cat. No.: M1058541 Formula: C₂₂H₂₂O₉ Peso molecolare: 430.400

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

IUPAC Name

7-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

InChIKey

UWRLUNPRLSNXRR-PGPONNFDSA-N

INCHI

1S/C22H22O9/c1-29-11-4-2-10(3-5-11)13-9-30-21-12(17(13)25)6-7-14(24)16(21)22-20(28)19(27)18(26)15(8-23)31-22/h2-7,9,15,18-20,22-24,26-28H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1

Peso molecolare

430.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isoflavonoids
      • Subclass Isoflavonoid C-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isoflavonoids
• Subclass: Isoflavonoid C-glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavonoid C-glycosides
• Alternative Parents: 4'-O-methylisoflavones Hydroxyisoflavonoids Isoflavones Phenolic glycosides Hexoses Chromones C-glycosyl compounds Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Oxanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Polyols Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavonoid c-glycoside - Isoflavonoid-8-c-glycoside - 4p-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - Chromone - C-glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyran - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Alcohol - Organic oxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
• 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 430.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 430.126 Da
• Monoisotopic Mass: 430.126 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 674.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 92117-94-7, the molecular formula is C22H22O9, and the molecular weight is 430.400 g/mol. InChIKey UWRLUNPRLSNXRR-PGPONNFDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.