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

CAS: 3790-78-1 Cat. No.: C334009 分子式: C₁₅H₂₆O 分子量: 222.37 Beilstein Registry Number: 1724137 EC番号: 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

概要

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

同義語

(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 | (

仕様と純度

≥94%

保管条件

Room temperature

入荷

Normal

純度

≥94%

名前と識別子

パブケム・シド

504763592

パブケム・シド・ウル

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

カノニカル・スマイル

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-

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: n20/D 1.478(lit.)
• 沸点（°C）: 70° C (lit.) at 0.1 mmHg
• 分子量: 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