trans-Nerolidol - ≥85% , CAS No.40716-66-3

CAS: 40716-66-3 Cat. No.: T355391 分子式: C₁₅H₂₆O 分子量: 222.37 EC番号: 255-053-4

グレード＆純度 ≥85%

Synonyms

N0454 | (E)-nerolidol | STL193540 | trans-3,7,11-trimethyl-dodeca-1,6,10-trien-3-ol | W-110939 | Methylvinylhomogeranyl carbinol | (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol | (6E)-3,7,11-Trimethyl-1,6,10-

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

N0454 | (E)-nerolidol | STL193540 | trans-3,7,11-trimethyl-dodeca-1,6,10-trien-3-ol | W-110939 | Methylvinylhomogeranyl carbinol | (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol | (6E)-3,7,11-Trimethyl-1,6,10-

仕様と純度

≥85%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥85%

名前と識別子

パブケム・シド

504763495

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763495

カノニカル・スマイル

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

IUPAC Name

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

InChIKey

FQTLCLSUCSAZDY-SDNWHVSQSA-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

1

分子量

222.37

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

関連ターゲット（人間）

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Staphylococcus aureus (210822 Activities)

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Cutibacterium acnes (887 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mus musculus (284745 Activities)

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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作用メカニズム

化学的性質と物理的性質

• 感度: Air sensitive
• 屈折率: n20/D 1.479(lit.)
• 沸点（°C）: 145-146° C (lit.) at 12 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

よくある質問

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 40716-66-3, the molecular formula is C15H26O, and the molecular weight is 222.37 g/mol. InChIKey FQTLCLSUCSAZDY-SDNWHVSQSA-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.