Dihydromyricetin - analytical standard, ≥98% , CAS No.27200-12-0

CAS: 27200-12-0 Cat. No.: D101549 Formula: C₁₅H₁₂O₈ Peso molecolare: 320.25 Numero EC: 814-912-9

QUALITÀ & PUREZZA Analytical standard, ≥98%

Synonyms

(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|Dihydromyricetin (Ampeloptin)|(+)-Dihydromyricetin|Dihydromyricetin|dihydro-myricetin|DIHYDROMYRICETIN [INCI]|AMPELOPSIN [MI]|(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone|Flavanone, 3,3',4',5,5',7-hexahydroxy-|Dihydromyricetin (diH-Myr)|(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one|Dihydromyricetin - Ampeloptin|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one|(2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol|4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-|(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one|3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol|Myriceline spe|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2r,3r)-dihydromyricetin|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one|(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|Ampelopsin|Ampelopsin (flavanol)|1,2-Benzenediol, 4-chloro-; Pyrocatechol, 4-chloro- (6CI,7CI,8CI); 4-Chloro-1,2-benzenediol; 4-Chloro-1,2-dihydroxybenzene; 4-Chlorocatechol; 4-Chloropyrocatechol|Ampeloptin|Ampelopsin;Ampeloptin|(+)-Ampelopsin|4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | Dihydromyricetin (Ampeloptin) | (+)-Dihydromyricetin | Dihydromyricetin | dihydro-myricetin | DIHYDROMYRICETIN [INCI] | AMPELOPSIN [MI] | (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone | Flavanone, 3,3',4',5,5',7-hexahydroxy- | Dihydromyricetin (diH-Myr) Mostra altro

Specifiche e purezza

analytical standard, ≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508812122

Sorrisi canonici

C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O

IUPAC Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

KJXSIXMJHKAJOD-LSDHHAIUSA-N

INCHI

1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

Isomeri SMILES

C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O

WGK Germania

3

Peso molecolare

320.25

Reaxy-Rn

332335

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=332335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavans
        • Level5 Flavan-3-ols
          • Level6 Catechins
            • Level7 Epigallocatechins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Flavan-3-ols - Catechins
• Direct Parent: Epigallocatechins
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavanonols 7-hydroxyflavonoids Chromones Pyrogallols and derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Epigallocatechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Secondary alcohol - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.
• External Descriptors: Dihyroflavonols

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Rotazione specifica [α]: +15.5 to +17.0 deg(C=0.9, methanol)
• Punto di fusione (°C): 248 °C
• Peso molecolare: 320.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 320.053 Da
• Monoisotopic Mass: 320.053 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 445.000
• 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