Capsiate - ≥96% , CAS No.205687-01-0

CAS: 205687-01-0 Cat. No.: C346595 分子式: C₁₈H₂₆O₄ 分子量: 306.4 EC番号: 110-140-5

グレード＆純度 ≥96%

Synonyms

(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER | 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)- | SCHEMBL1585964 | PX8I7HG5I3 | (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate | (4-hydroxy-3-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Product Application：

Capsiate is a capsinoid compound which are non-pungent capsaicin analogs that can promote metabolic health and exercise tolerance.

仕様

同義語

(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER | 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)- | SCHEMBL1585964 | PX8I7HG5I3 | (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate | (4-hydroxy-3-me

仕様と純度

≥96%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

504764956

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764956

カノニカル・スマイル

CC(C)C=CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

IUPAC Name

(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate

InChIKey

ZICNYIDDNJYKCP-SOFGYWHQSA-N

INCHI

1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+

異性体SMILES

CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC

分子量

306.4

Reaxy-Rn

20189907

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20189907&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Benzyloxycarbonyls Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

• 分子量: 306.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 306.183 Da
• Monoisotopic Mass: 306.183 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1