89502-29-4

Basic information

• Product Name: (R)-2-Phenyl-butyric acid (2S,4aR,5S,8aS)-5-(6,8-dimethoxy-2-oxo-2H-chromen-7-yloxymethyl)-1,1,4a-trimethyl-6-methylene-decahydro-naphthalen-2-yl ester
• CAS NO: 89502-29-4
• Molecular Weight: 588.741
• Mol File: 89502-29-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (R)-2-Phenyl-butyric acid (2S,4aR,5S,8aS)-5-(6,8-dimethoxy-2-oxo-2H-chromen-7-yloxymethyl)-1,1,4a-trimethyl-6-methylene-decahydro-naphthalen-2-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2-Phenyl-butyric acid (2S,4aR,5S,8aS)-5-(6,8-dimethoxy-2-oxo-2H-chromen-7-yloxymethyl)-1,1,4a-trimethyl-6-methylene-decahydro-naphthalen-2-yl ester(89502-29-4)
• EPA Substance Registry System: (R)-2-Phenyl-butyric acid (2S,4aR,5S,8aS)-5-(6,8-dimethoxy-2-oxo-2H-chromen-7-yloxymethyl)-1,1,4a-trimethyl-6-methylene-decahydro-naphthalen-2-yl ester(89502-29-4)

Safety Data

• Hazardous Substances Data: 89502-29-4(Hazardous Substances Data)

Upstream product

• 4286-15-1 (S)-2-phenylbutyric acid 
• 938-79-4 (2R)-2-phenylbutanoic acid 
• 81729-14-8 Pectachol 
• 1519-21-7 2-phenylbutyric anhydride 

Relevant articles and documents

Absolute Configurations and Circular Dichroism of Sesquiterpene-Coumarin Ethers

The absolute stereochemistry of 14 naturally occurring sesquiterpene-coumarin ethers is discussed.In 13 cases the coumarin moiety is isofraxidin (7-hydroxy-6,8-dimethoxycoumarin), in one case scopoletin (7-hydroxy-6-methoxycoumarin).The sesquiterpene moieties belong either to the bicyclic drimenole series or to its consecutive products (methyl migration, ring opening).The CD spectra of all compounds are given.The assignments of the absolute configurations are based on the method of Horeau, chemical correlation by degradation reactions, extensive comparison of CD data, and biogenetic considerations. - (Keywords: Achillea; Artemisia; Chiroptical properties; Horeaus's method; Natural constituents)