Neophytadiene - Moligand™, ≥90% , CAS No.504-96-1

CAS: 504-96-1 Cat. No.: N348031 Summenformel: C₂₀H₃₈ Molekulargewicht: 278.52

GRADE & PURITY Moligand™, ≥90%

Synonyms

2-(4,8,12-Trimethyltridecyl)-1,3-butadiene | 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene | Q67880018 | 7,11,15-Trimethyl-3-methylene-1-hexadecene | UNII-HL3QFB56FB | FT-0672681 | HSDB 4321 | HY-N8534 | 2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB] | NI

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Neophytadiene is an enzyme inhibitor. This product contains up to 15% hexanes and up to 5% of the analogous dimer by NMR.

Specifications

Synonyme

2-(4,8,12-Trimethyltridecyl)-1,3-butadiene | 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene | Q67880018 | 7,11,15-Trimethyl-3-methylene-1-hexadecene | UNII-HL3QFB56FB | FT-0672681 | HSDB 4321 | HY-N8534 | 2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB] | NI

Spezifikationen & Reinheit

Moligand™, ≥90%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥90%

Namen und Kennungen

• Pubchem Sid: 504751949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751949
• Kanonisches Lächeln: CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
• IUPAC Name: 7,11,15-trimethyl-3-methylidenehexadec-1-ene
• InChIKey: NIDGCIPAMWNKOA-UHFFFAOYSA-N
• INCHI: 1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
• Isomere SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
• Molekulargewicht: 278.52
• Reaxy-Rn: 1772673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Alkadienes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Alkadiene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, dichloromethane, ether and hexanes.
• Empfindlichkeit: Light and haet sensitive
• Molekulargewicht: 278.500 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 278.297 Da
• Monoisotopic Mass: 278.297 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Lin Liu, Junkai Tian, Ziyao Zhou, Chunwang Yang, Susu Yang, Kangkang Zhang, Yushan Yang, Jian Qiu.  (2024)  Evaluation of the Potentials of Tobacco Waste Extract as Wood Preservatives against Wood Decay Fungi.  Forests,  15  (7): (1274).  [PMID:] [10.3390/f15071274]

2. Yadan Chen, Yanbin Wang, Liang He, Liling Wang, Jianchen Zhao, Zhenya Yang, Qin Li, Rui Shi.  (2024)  Supercritical CO2 Extraction of Terpenoids from Indocalamus latifolius Leaves: Optimization, Purification, and Antioxidant Activity.  Foods,  13  (11): (1719).  [PMID:38890947] [10.3390/foods13111719]

3. Qingfu Wang, Jiaming Zhao, Zening Wang, Liuke Zhang, Lei Li, Yibo Ning, Zhipeng Jing, Pengfei Yang, Yongzhen Zhao, Changtong Lu.  (2026)  Study on the enhancement of volatile components extraction from Lysimachia foenum-graecum Hance essential oil by metal salts.  Frontiers in Chemistry,      [PMID:42482699] [10.3389/fchem.2026.1869613]