Fargesin - Moligand™, ≥98% , CAS No.31008-19-2

CAS: 31008-19-2 Cat. No.: F115846 Peso molecular: 370.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

AS-55997 | Q-100392 | (+/-)-Fargesin | rel-5-[(1R,3aS,4S,6aS)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole | AKOS025311589 | Fargesin | 5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Fargesin is a bioactive neolignan isolated from magnolia plants, with antihypertensive and anti-inflammatory effects.

Specifications

Sinónimos

AS-55997 | Q-100392 | (+/-)-Fargesin | rel-5-[(1R, 3aS, 4S, 6aS)-4-(3, 4-Dimethoxyphenyl)tetrahydro-1H, 3H-furo[3, 4-c]furan-1-yl]-1, 3-benzodioxole | AKOS025311589 | Fargesin | 5-[(3S, 3aR, 6R, 6aR)-6-(3, 4-dimethoxyphenyl)-1, 3, 3a, 4, 6, 6a-hexahydrofuro[3, 4-c]furan-3

Especificaciones y pureza

Moligand™, ≥98%

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.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765744
• Sonrisas canónicas: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC
• IUPAC Name: 5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
• InChIKey: AWOGQCSIVCQXBT-LATRNWQMSA-N
• INCHI: 1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1
• Isómeros SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)OC
• Peso molecular: 370.40
• Reaxy-Rn: 1629676
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1629676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Clase Furanoid lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Clase: Furanoid lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoid lignans
• Alternative Parents: Furofuran lignans Dimethoxybenzenes Benzodioxoles Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Oxolanes Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoid lignan - Furofuran lignan skeleton - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Methoxybenzene - Anisole - Phenoxy compound - Furofuran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxolane - Ether - Dialkyl ether - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.
• External Descriptors: Not available

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

• Punto de fusión (°C): 134°C
• Peso molecular: 370.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 370.142 Da
• Monoisotopic Mass: 370.142 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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