(+)-Longifolene - ≥90% , CAS No.475-20-7

CAS: 475-20-7 Cat. No.: L303781 Fórmula: C₁₅H₂₄ Peso molecular: 204.35 Número EC: 207-491-2

GRADE & PURITY ≥90%

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 2-8°C

Shipped In

Wet ice

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

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥90%

Nombres e identificadores

Pubchem Sid

504760636

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760636

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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 475-20-7, the molecular formula is C15H24, and the molecular weight is 204.35 g/mol. InChIKey PDSNLYSELAIEBU-GUIRCDHDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.