6-Geranyl-7-hydroxycoumarin - ≥98% , CAS No.148-83-4

CAS: 148-83-4 Cat. No.: G463792 Fórmula: C₁₉H₂₂O₃ Peso molecular: 298.37 Número EC: 802-686-4

GRADE & PURITY ≥98%

Synonyms

(E)-6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxycoumarin | ACon1_001218 | CCRIS 8087 | 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- | SCHEMBL2936121 | CHEBI:69833 | 2H-1-Benzopyran-2-one,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Description

Natural product derived from plant source.}

Specifications

Sinónimos

(E)-6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxycoumarin | ACon1_001218 | CCRIS 8087 | 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- | SCHEMBL2936121 | CHEBI:69833 | 2H-1-Benzopyran-2-one,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C

IUPAC Name

6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one

InChIKey

INBMTJJPUABOQJ-VGOFMYFVSA-N

INCHI

1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+

Isómeros SMILES

CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C

Peso molecular

298.37

Reaxy-Rn

28225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: 7-hydroxycoumarins Bicyclic monoterpenoids Aromatic monoterpenoids 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene lactone - 7-hydroxycoumarin - Hydroxycoumarin - Coumarin - Aromatic monoterpenoid - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• External Descriptors: coumarins

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 298.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.157 Da
• Monoisotopic Mass: 298.157 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 483.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 148-83-4, the molecular formula is C19H22O3, and the molecular weight is 298.37 g/mol. InChIKey INBMTJJPUABOQJ-VGOFMYFVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.