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

CAS: 130233-83-9 Cat. No.: A463784 Summenformel: C₁₉H₂₂O₃ Molekulargewicht: 298.38 EG-Nummer: 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

Übersicht

Description

Natural product derived from plant source.}

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%(LC/MS-ELSD)

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(LC/MS-ELSD)

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O
• UN-Nummer: 3077
• Molekulargewicht: 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
    • Klasse Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 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