276242-73-0

Basic information

• Product Name: methyl 2α,3β-bis-(phenyl-O-thiocarbonyloxy)-12-oleanen-28-oate
• Synonyms: methyl 2α,3β-bis-(phenyl-O-thiocarbonyloxy)-12-oleanen-28-oate
• CAS NO: 276242-73-0
• Molecular Weight: 759.084
• Mol File: 276242-73-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 2α,3β-bis-(phenyl-O-thiocarbonyloxy)-12-oleanen-28-oate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2α,3β-bis-(phenyl-O-thiocarbonyloxy)-12-oleanen-28-oate(276242-73-0)
• EPA Substance Registry System: methyl 2α,3β-bis-(phenyl-O-thiocarbonyloxy)-12-oleanen-28-oate(276242-73-0)

Safety Data

• Hazardous Substances Data: 276242-73-0(Hazardous Substances Data)

Upstream product

• 22425-82-7 methyl maslinate 
• 1005-56-7 phenylcarbonochloridothioate 
• 4373-41-5 maslinic acid 

Relevant articles and documents

Semi-synthesis of Triterpene A-Ring Derivatives from Oleanolic and Maslinic Acids. Theoretical and Experimental 13C Chemical Shifts

Oleanolic and maslinic acids were isolated from solid waste from olive oil and several derivatives were semi-synthesised using typical reaction procedures. Rearrangements of methyl oleanate by mesylation or treatment with phosphorus pentachloride were accomplished. Six rearranged products were obtained from these reactions, three of which were 3(4) -> 5-abeo compounds formed by A-ring contraction of the oleanene skeleton. Experimental 13C NMR chemical shifts for 21 compounds are given and a discussion of the substituent effects on their 13C shieldings are also included. Morover, theoretical 13C NMR chemical shifts, with the GIAO method calculated at the MM+ geometries using the B3LYP/6-31G* level, showed good agreement with the experimental, allowing a correct assignment for the experimental shifts.