Capsiate - ≥96% , CAS No.205687-01-0

CAS: 205687-01-0 Cat. No.: C346595 분자식: C₁₈H₂₆O₄ 분자량: 306.4 EC 번호: 110-140-5

등급 & 순도 ≥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

개요

Product Application：

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

사양

동의어

(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

사양 및 순도

≥96%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥96%

이름과 식별자

Pubchem Sid

504764956

Pubchem Sid Url

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

정식 스마일

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+

이성체 SMILES

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

분자량

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
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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