Paulownin - ≥95% , CAS No.13040-46-5

CAS: 13040-46-5 Cat. No.: P166892 Formula: C₂₀H₁₈O₇ Peso molecolare: 370.35 Numero 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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Product description

Natural product derived from plant source.

Bioactivity

Paulownin, a component of wood of Paulownia tomentosa Steud, is a constituent of medicinal plants

Specifications

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504762421
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762421
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 370.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 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