Paulownin - ≥95% , CAS No.13040-46-5

CAS: 13040-46-5 Cat. No.: P166892 Fórmula: C₂₀H₁₈O₇ Peso molecular: 370.35 Número EC: 802-677-5 PubChem CID: 3084131

GRADE & PURITY ≥95%

Synonyms

MS-25951 | CCG-268295 | AC-33983 | s9013 | Paulownin | 1H,3H-Furo(3,4-c)furan-3a(4H)-ol, 1,4-bis(1,3-benzodioxol-5-yl)dihydro-, (1alpha,3aalpha,4alpha,6aalpha)- | Paulownin, >=95% (LC/MS-ELSD) | SCHEMBL662427 | NCGC00169771-01 | ACon1_001000 | MEGxp0_0013

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Descripción del producto

Producto natural de origen vegetal.

Bioactividad

La Paulownina, un componente de la madera de Paulownia tomentosa Steud, es un constituyente de las plantas medicinales

Specifications

Sinónimos

MS-25951 | CCG-268295 | AC-33983 | s9013 | Paulownin | 1H,3H-Furo(3,4-c)furan-3a(4H)-ol, 1,4-bis(1,3-benzodioxol-5-yl)dihydro-, (1alpha,3aalpha,4alpha,6aalpha)- | Paulownin, >=95% (LC/MS-ELSD) | SCHEMBL662427 | NCGC00169771-01 | ACon1_001000 | MEGxp0_0013

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504762421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762421

Sonrisas canónicas

C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6

IUPAC Name

(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

InChIKey

CAQZFLPWHBKTTR-WNISUXOKSA-N

INCHI

1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2/t13-,18-,19-,20-/m1/s1

Isómeros SMILES

C1[C@@H]2[C@H](OC[C@@]2([C@H](O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6

PubChem CID

3084131

Peso molecular

370.35

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 Benzodioxoles Furofurans Benzenoids Tertiary alcohols Oxolanes Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoid lignan - Furofuran lignan skeleton - Benzodioxole - Furofuran - Benzenoid - Oxolane - Tertiary alcohol - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - 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

• Sensibilidad: Light sensitive
• Peso molecular: 370.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 370.105 Da
• Monoisotopic Mass: 370.105 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 573.000
• 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