cis-Nerolidol - ≥94% , CAS No.3790-78-1

CAS: 3790-78-1 Cat. No.: C334009 Fórmula: C₁₅H₂₆O Peso molecular: 222.37 Beilstein Registry Number: 1724137 Número EC: 205-540-2

GRADE & PURITY ≥94%

Synonyms

(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol | 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)- | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11- | SCHEMBL7057492 | Nerolidol, cis-(+)- | NSC 60598 | (

Storage

Room temperature

Shipped In

Normal

Descripción general

cis-Nerolidol is a sesquiterpene alcohol that can be found in various plants. cis-Nerolidol exhibits antioxidant and antibacterial activities. cis-Nerolidol can also potentiate the action of antibiotics.

Specifications

Sinónimos

(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol | 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)- | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11- | SCHEMBL7057492 | Nerolidol, cis-(+)- | NSC 60598 | (

Especificaciones y pureza

≥94%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥94%

Nombres e identificadores

Pubchem Sid

504763592

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763592

Sonrisas canónicas

CC(=CCCC(=CCCC(C)(C=C)O)C)C

IUPAC Name

(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

InChIKey

FQTLCLSUCSAZDY-KAMYIIQDSA-N

INCHI

1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-

Isómeros SMILES

CC(=CCC/C(=C\CCC(C)(C=C)O)/C)C

WGK Alemania

3

Peso molecular

222.37

Beilstein

1724137

Reaxy-Rn

1724135

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724135&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: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.478(lit.)
• Punto de ebullición (°C): 70° C (lit.) at 0.1 mmHg
• Peso molecular: 222.370 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1