PHL89734

16-O-Methylcafestol

phyproof^® Reference Substance

• Empirical Formula (Hill Notation): C₂₁H₃₀O₃
• CAS Number: 108214-28-4
• Molecular Weight: 330.46
• MDL number: MFCD16660342
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• Assay: ≥95.0% (HPLC)
• manufacturer/tradename: PhytoLab
• application(s): food and beverages
• format: neat
• SMILES string: CO[C@]1(CO)C[C@@]23CCC4c5ccoc5CC[C@@]4(C)C2CCC1C3
• InChI: 1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1
• InChI key: BDVVNPOGDNWUOI-GVOJMRIRSA-N

Description

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Application

• 16-O-Methylcafestol biochemical research applications: A study utilized benchtop NMR spectroscopy to quantify 16-O-methylcafestol in lipophilic extracts of ground roast coffee, showcasing its potential as a biochemical assay reagent and highlighting its importance in coffee chemistry research (Gunning et al., 2023).
• 16-O-Methylcafestol diterpene compound studies: Research focused on the quantitative NMR methodology for the authentication of roasted coffee has highlighted the role of 16-O-methylcafestol as a significant compound in the verification and blend prediction of coffee products, demonstrating its application in food chemistry and bioactive compound analysis (Burton et al., 2020).
• 16-O-Methylcafestol in vitro biological activity analysis: An ultra-high-performance liquid chromatography-tandem mass spectrometry method was optimized and validated for analyzing 16-O-methylcafestol, emphasizing its pharmacological properties and importance in coffee bean derivative research and potential therapeutic applications (Guercia et al., 2020).

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable