22452-82-0

Basic information

• Product Name: 2α,3β,23-Trihydroxyoleana-12-ene-28-oic acid methyl ester
• Synonyms: (2α,3β,4R)-2,3,23-Trihydroxyolean-12-en-28-oic acid methyl ester;2α,3β,23-Trihydroxyoleana-12-ene-28-oic acid methyl ester;Methyl arjunolate
• CAS NO: 22452-82-0
• Molecular Formula: C₃₁H₅₀O₅
• Molecular Weight: 502.7257
• Mol File: 22452-82-0.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2α,3β,23-Trihydroxyoleana-12-ene-28-oic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2α,3β,23-Trihydroxyoleana-12-ene-28-oic acid methyl ester(22452-82-0)
• EPA Substance Registry System: 2α,3β,23-Trihydroxyoleana-12-ene-28-oic acid methyl ester(22452-82-0)

Safety Data

• Hazardous Substances Data: 22452-82-0(Hazardous Substances Data)

Upstream product

• 465-00-9 arjunolic acid 
• 77-78-1 dimethyl sulfate 
• 186581-53-3 diazomethane 

Downstream Products

• 465-00-9 arjunolic acid 
• 1325711-95-2 C₃₈H₅₃NO₇ 
• 10258-29-4 C₃₄H₅₄O₅ 

Relevant articles and documents

Structural elucidation, Hirshfeld surface analysis and quantum mechanical study of para-nitro benzylidene methyl arjunolate

A benzylidene derivative of arjunolic acid, namely, para-nitro benzylidene methyl arjunolate (3) have been synthesized and characterized by X-ray structural studies and the electronic structure was calculated at the DFT level with a detailed analysis of Hirshfeld surface and fingerprint plot facilitating a comparison of intermolecular interactions. The crystal packing of (3) exhibits intermolecular O-H...O and C-H...O hydrogen bonds forming linear chains propagating parallel to [1 0 0] and [0 1 0] directions, respectively, which are further linked through C-H...π (arene) bonds to generate two-dimensional framework. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that more than two-thirds of the close contacts are associated with weak interactions. Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes. The large HOMO-LUMO energy gap indicates a high kinetic stability for the title compound (3).

New Triterpenes from Barringtonia speciosa Forst

Three new triterpene acids, viz. bartogenic acid, anhydrobartogenic acid and 19-epibartogenic acid, have been isolated from the fruits of Barringtonia speciosa.The structures and stereochemistry of these acids have been established as 2α,3β,19α-trihydroxyolean-12-ene-24,28-dioic acid (1), 2α,3β-dihydroxyolean-12,18-diene-24,28-dioic acid (20) and 2α,3β,19β-trihydroxyolean-12-ene-24,28-dioic acid (22) respectively based on 1H, 13C NMR and mass spectral data, chemical reactions and finally conversion of dimethyl bartogenate (2) into the known triterpene, methyl sericiate (8).