3′,4′,5′,5,7-Pentamethoxyflavanone - ≥98% , CAS No.479672-30-5

CAS: 479672-30-5 Cat. No.: P332724 Formula: C₂₀H₂₂O₇ Peso molecolare: 374.38 PubChem CID: 4692111

QUALITÀ & PUREZZA ≥98%

Synonyms

PD055902 | FS-8483 | DTXSID20405619 | HY-107843 | FT-0673589 | 3',4',5',5,7-PENTAMETHOXYFLAVANONE | 3',4',5,5',7-Pentamethoxyflavanone | 3',4',5',5,7-pentamethoxyflavanone, AldrichCPR | AKOS040742844 | SCHEMBL16894615 | 5,7-dimethoxy-2-(3,4,5-trimethoxyph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

3',4',5',5,7-Pentamethoxyflavanone is a natural flavonoid compound found in Neoraptua magnifica var. magnifica.

Specifiche

Sinonimi

PD055902 | FS-8483 | DTXSID20405619 | HY-107843 | FT-0673589 | 3',4',5',5,7-PENTAMETHOXYFLAVANONE | 3',4',5,5',7-Pentamethoxyflavanone | 3',4',5',5,7-pentamethoxyflavanone, AldrichCPR | AKOS040742844 | SCHEMBL16894615 | 5,7-dimethoxy-2-(3,4,5-trimethoxyph

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528757784

Sorrisi canonici

COC1=CC2=C(C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=C1)OC

IUPAC Name

5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

VJQOZRFYJNWSFO-UHFFFAOYSA-N

INCHI

1S/C20H22O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-9,14H,10H2,1-5H3

Isomeri SMILES

COC1=CC2=C(C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=C1)OC

PubChem CID

4692111

Peso molecolare

374.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: 5-O-methylated flavonoids 4'-O-methylated flavonoids 3'-O-methylated flavonoids Flavanones Chromones Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavanone - Flavan - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• 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

• Solubilità: Soluble in Warm Acetone, Ethanol and Methanol
• Punto di fusione (°C): 178-180°C (lit.)
• Peso molecolare: 374.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 374.137 Da
• Monoisotopic Mass: 374.137 Da
• Topological Polar Surface Area: 72.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 485.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1