Phytol - ≥97%, stabilized with BHT,mixture of isomers , CAS No.7541-49-3

CAS: 7541-49-3 Cat. No.: P171274 분자식: CH₃[CH(CH₃)(CH₂)₃]₃C(CH₃)=CHCH₂OH 분자량: 296.53 Beilstein Registry Number: 1726100 EC 번호: 616-221-6 PubChem CID: 5366244

GRADE & PURITY ≥97%, stabilized with BHT,mixture of isomers

Synonyms

LS-14831 | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)- | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (mixture of isomers) | Z56347285 | 2,2'-((2-((carboxymethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetic acid | (E)-3,7,11,15-tetramethylhexadec-2-

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

LS-14831 | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)- | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (mixture of isomers) | Z56347285 | 2,2'-((2-((carboxymethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetic acid | (E)-3,7,11,15-tetramethylhexadec-2-

사양 및 순도

≥97%, stabilized with BHT,mixture of isomers

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488195463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195463
• 정식 스마일: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
• IUPAC Name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
• InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
• INCHI: 1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
• 이성체 SMILES: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO)/C
• WGK 독일: 1
• PubChem CID: 5366244
• 분자량: 296.53
• Beilstein: 1726100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic diterpenoids
• Alternative Parents: Long-chain fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic diterpenoid - Long chain fatty alcohol - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
• 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

관련 대상(인간)

MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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KB (17409 Activities)

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관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: n20/D 1.463 (lit.)
• 끓는점(°C): 202-204 °C/10 mmHg (lit.)
• 분자량: 296.500 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 296.308 Da
• Monoisotopic Mass: 296.308 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Liping Du, Chao Wang, Chenxia Zhang, Lijuan Ma, Yongquan Xu, Dongguang Xiao.  (2019)  Characterization of the volatile and sensory profile of instant Pu-erh tea using GC × GC-TOFMS and descriptive sensory analysis.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2019.02.036]