Methyl asterrate (Cas No 59170-17-1) ≥95%(LC/MS-UV) high purity and research grade

Methyl asterrate - ≥95%(LC/MS-UV) , CAS No.59170-17-1

CAS: 59170-17-1 Cat. No.: M463958 分子式: C₁₈H₁₈O₈ 分子量: 362.33

注文可能

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

🧪

Why this grade

≥95%(LC/MS-UV) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Description

Natural product derived from fungal source.

Specifications

同義語

仕様と純度

≥95%(LC/MS-UV)

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

≥95%(LC/MS-UV)

名前と識別子

カノニカル・スマイル	CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O
IUPAC Name	methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
InChIKey	KYDNOVLBVBYOSW-UHFFFAOYSA-N
INCHI	1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
異性体SMILES	CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O
分子量	362.33
Reaxy-Rn	2710119
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2710119&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	o-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters Diarylethers M-methoxybenzoic acids and derivatives Salicylic acid and derivatives Methoxyphenols Anisoles Benzoyl derivatives Meta cresols Methoxybenzenes Phenoxy compounds Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - M-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Diaryl ether - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Salicylic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - M-cresol - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
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

3 D構造

関連ターゲット（非人間）

Streptococcus pneumoniae (31063 Activities)

溶解度	DMSO: 1mg/mL
引火点（°F）	Not applicable
引火点（°C）	Not applicable
分子量	362.300 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	362.1 Da
Monoisotopic Mass	362.1 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	496.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1