Acerogenin G - ≥95%(LC/MS-ELSD) , CAS No.130233-83-9

CAS: 130233-83-9 Cat. No.: A463784 Formula: C₁₉H₂₂O₃ Peso molecolare: 298.38 Numero EC: 802-679-6

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

1,7-bis-(4-hydroxyphenyl)-3-heptanone | 1,7-bis(4-hydroxyphenyl)-3-heptanone | Q27139031 | Acerogenin G | 1,7-bis(4-hydroxyphenyl)heptan-3-one | Acerogenin G, >=95% (LC/MS-ELSD) | NCGC00169598-01 | CHEBI:70700 | AcerogeninG | AKOS040761305 | BRD-K55160318

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Description

Natural product derived from plant source.}

Specifications

Sinonimi

1,7-bis-(4-hydroxyphenyl)-3-heptanone | 1,7-bis(4-hydroxyphenyl)-3-heptanone | Q27139031 | Acerogenin G | 1,7-bis(4-hydroxyphenyl)heptan-3-one | Acerogenin G, >=95% (LC/MS-ELSD) | NCGC00169598-01 | CHEBI:70700 | AcerogeninG | AKOS040761305 | BRD-K55160318

Specifiche e purezza

≥95%(LC/MS-ELSD)

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

≥95%(LC/MS-ELSD)

Nomi e identificatori

• Sorrisi canonici: C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O
• IUPAC Name: 1,7-bis(4-hydroxyphenyl)heptan-3-one
• InChIKey: QUHYUSAHBDACNG-UHFFFAOYSA-N
• INCHI: 1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2
• Isomeri SMILES: C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O
• Numero UN: 3077
• Peso molecolare: 298.38
• Reaxy-Rn: 4195253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4195253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• External Descriptors: phenols - ketone - diarylheptanoid

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

Obiettivi associati (non umani)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 298.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 298.157 Da
• Monoisotopic Mass: 298.157 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 313.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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