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

CAS: 130233-83-9 Cat. No.: A463784 Formule: C₁₉H₂₂O₃ Poids moléculaire: 298.38 Numéro CE: 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

Vue d’ensemble

Description

Natural product derived from plant source.}

Specifications

Synonymes

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

Spécifications et pureté

≥95%(LC/MS-ELSD)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(LC/MS-ELSD)

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O

Numéro ONU

3077

Poids moléculaire

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
• Description: 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

Cibles associées (non humaines)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 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