(+)-Longifolene - 10mM in DMSO , CAS No.475-20-7

CAS: 475-20-7 Cat. No.: L424134 Peso molecular: 204.35 Número EC: 207-491-2

GRADE & PURITY 10mM in DMSO

Synonyms

NCGC00256076-01 | LONGIFOLENE [MI] | Junipen | NSC 150808 | NSC-150808 | s5614 | (1S,3aR,4S,8aS)-4,8,8-trimethyl-9-methylenedecahydro-1,4-methanoazulene | [1S-(1alpha,3abeta,4alpha,8abeta)]-Decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene | DTXSID

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate.

Specifications

Sinónimos

NCGC00256076-01 | LONGIFOLENE [MI] | Junipen | NSC 150808 | NSC-150808 | s5614 | (1S, 3aR, 4S, 8aS)-4, 8, 8-trimethyl-9-methylenedecahydro-1, 4-methanoazulene | [1S-(1alpha, 3abeta, 4alpha, 8abeta)]-Decahydro-4, 8, 8-trimethyl-9-methylene-1, 4-methanoazulene | DTXSID

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC1(CCCC2(C3C1C(C2=C)CC3)C)C
• IUPAC Name: (1R,2S,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
• InChIKey: PDSNLYSELAIEBU-GUIRCDHDSA-N
• INCHI: 1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
• Isómeros SMILES: C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3C2=C)(C)C
• Peso molecular: 204.35
• Reaxy-Rn: 2044262
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044262&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Longifolane or isolongifolane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Longifolane sesquiterpenoids

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 inflamación (°C): 101.00 °C
• Punto de ebullición (°C): 258 - 260 °C
• Peso molecular: 204.350 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 312.000
• 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

Referencias

1. Shufen Wang, Xiaopeng Chen, Jiezhen Liang, Xiaojie Wei, Hairong Mo, Kaixi Deng, Linlin Wang.  (2022)  Vapor–Liquid Equilibrium of α-Pinene, Longifolene, and Abietic Acid of Pine Oleoresin: HS-GC Measurements and Model Correlation.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.1c00799]

2. Wang Yingying, Zhang Siyi, Ma Yuandan, Du Xianmin, Zong Qi, Lin Die, Lai Meng, Huang Tianyu, Luo Qingyun, Yang Lin, Li Zhanyong, Zuo Zhaojiang.  (2024)  Solvent effects on terpenoid compositions and antioxidant activities of Cinnamomum camphora (L.) J. Presl extracts and the main antioxidant agent evaluation through in vitro and in vivo assay.  Chemical and Biological Technologies in Agriculture,  11  (1): (1-16).  [PMID:] [10.1186/s40538-023-00524-2]

3. Shufen Wang, Jinrou Wei, Hongzhao Xie, Xiaopeng Chen, Jie zhen Liang, Xiaojie Wei, Jie Huang, Linlin Wang.  (2024)  Vapor–Liquid Equilibrium of Monoterpene-Sesquiterpene System Containing Resin Acid.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c04175]