93446-18-5

Basic information

• Product Name: C₂₇H₃₂O₁₄
• CAS NO: 93446-18-5
• Molecular Weight: 580.543
• Mol File: 93446-18-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 914.6±65.0 °C(Predicted)
• Density: 1.603±0.06 g/cm3(Predicted)
• CAS DataBase Reference: C₂₇H₃₂O₁₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₇H₃₂O₁₄(93446-18-5)
• EPA Substance Registry System: C₂₇H₃₂O₁₄(93446-18-5)

Safety Data

• Hazardous Substances Data: 93446-18-5(Hazardous Substances Data)

Upstream product

• 551-15-5 liquiritin 

Relevant articles and documents

Identification of metabolites of liquiritin in rats by UHPLC-Q-TOF-MS/MS: Metabolic profiling and pathway comparison: In vitro and in vivo

Liquiritin (LQ), the main bioactive constituent of licorice, is a common flavoring and sweetening agent in food products and has a wide range of pharmacological properties, including antidepressant-like, neuroprotective, anti-cancer and anti-inflammatory properties. This study investigated the metabolic pathways of LQ in vitro (rat liver microsomes) and in vivo (rat model) using ultra high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS). Moreover, supplementary tools such as key product ions (KPIs) were employed to search for and identify compounds. As a result, 56 in vivo metabolites and 15 in vitro metabolites were structurally characterized. Oxidation, reduction, hydrolysis, methylation, acetylation, and sulfate and glucuronide conjugation were determined to be the major metabolic pathways of LQ, and there were differences in LQ metabolism in vitro and in vivo. In addition, the in vitro and in vivo metabolic pathways were compared in this study.