Atractylodin - Moligand™, ≥98% , CAS No.55290-63-6

CAS: 55290-63-6 Cat. No.: A420038 Formula: C₁₃H₁₀O Peso molecolare: 182.21 Numero EC: 878-371-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

Atractylodin | 2-[(1E,7E)-1,7-Nonadiene-3,5-diyn-1-yl]furan | 2-[(1E,7E)-Nona-1,7-dien-3,5-diyn-1-yl]furan

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Atractylodin (Atractydin) is an active ingredient of the essential oil contained in the roots of Atractylodes lancea and A. chinensis. It is a natural insecticide that inhibits the activity of Tribolium castaneum

Specifications

Sinonimi

Atractylodin | 2-[(1E,7E)-1,7-Nonadiene-3,5-diyn-1-yl]furan | 2-[(1E,7E)-Nona-1,7-dien-3,5-diyn-1-yl]furan

Specifiche e purezza

Moligand™, ≥98%

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.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763601
• Sorrisi canonici: CC=CC#CC#CC=CC1=CC=CO1
• IUPAC Name: 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan
• InChIKey: GRBKWAXRYIITKG-QFMFQGICSA-N
• INCHI: 1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
• Isomeri SMILES: C/C=C/C#CC#C/C=C/C1=CC=CO1
• Peso molecolare: 182.21
• Reaxy-Rn: 60937600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60937600&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: furans

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

Proprietà chimiche e fisiche

• Solubilità: ≥ 18.2mg/mL in DMSO
• Sensibilità: heat sensitive；Light Sensitive
• Punto di fusione (°C): 54 °C
• Peso molecolare: 182.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Shuyan Xue, Feichao Song, Na Wei, Yuxuan Liu, Muchun Liu, Xi Huang, Yumeng Zhang, Yang Liu, Huiqin Hao, Junfeng Zhang.  (2025)  Study on Quality Evaluation of Er Miao San Based on HPLC Fingerprinting Combined With Multi-Indicator Content Determination.  BIOMEDICAL CHROMATOGRAPHY,  39  (4): (e70000).  [PMID:39968959] [10.1002/bmc.70000]