Visnadine - ≥95%(LC/MS-ELSD) , CAS No.477-32-7

CAS: 477-32-7 Cat. No.: V463835 Peso molecular: 388.41 Número EC: 207-515-1 PubChem CID: 442151

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

Visnadin | VISNADINE [WHO-DD] | CHEBI:10001 | EINECS 207-515-1 | VISNADINE [INCI] | C04AX24 | Cardine | VISNADINE [MI] | BDBM50240419 | Visnadina [DCIT] | VISNADINE [INN] | MLS002207297 | [(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]ch

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description

Natural product derived from plant source.}

Specifications

Sinónimos

Visnadin | VISNADINE [WHO-DD] | CHEBI:10001 | EINECS 207-515-1 | VISNADINE [INCI] | C04AX24 | Cardine | VISNADINE [MI] | BDBM50240419 | Visnadina [DCIT] | VISNADINE [INN] | MLS002207297 | [(9R, 10R)-10-acetoxy-8, 8-dimethyl-2-oxo-9, 10-dihydropyrano[2, 3-f]ch

Especificaciones y pureza

≥95%(LC/MS-ELSD)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%(LC/MS-ELSD)

Nombres e identificadores

• Sonrisas canónicas: CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
• IUPAC Name: [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate
• InChIKey: GVBNSPFBYXGREE-CXWAGAITSA-N
• INCHI: 1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1
• Isómeros SMILES: CC[C@@H](C)C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
• PubChem CID: 442151
• Número ONU: 3077
• Peso molecular: 388.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Pyranocoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Pyranocoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Angular pyranocoumarins
• Alternative Parents: Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fatty acid ester - Pyranone - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 388.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 388.152 Da
• Monoisotopic Mass: 388.152 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 668.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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