Olean-18α-19β,28-epoxy-3β-benzoate

Molbank 2026 Open access

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Authors: Xiqiang Gao, Jung Hoon Park, Bohua Lu, Jinxing Zhai, Xiaoyi Sun, Y N Wang, Lak Shin Jeong, Qiang Wang
DOI: 10.3390/m2197
Cited by: 1
References: 22

Abstract

Allobetulin 3-benzoate was obtained as an unexpected byproduct during the acid-mediated protection–deprotection of betulin. Single-crystal X-ray diffraction analysis shows that it crystallizes in the triclinic space group P1 with Z = 2 and contains two crystallographically independent molecules in the asymmetric unit. Compared with allobetulin (P21, Z = 4) and allobetulin 3-acetate (C2, Z = 4), the benzoyl substitution at C-3 induces distinct molecular packing and intermolecular interaction patterns, highlighting the influence of steric and electronic effects on crystal architecture.

Fields of Study & Subjects

Natural product bioactivities and synthesis Phytochemistry and Biological Activities Phytochemical Studies and Bioactivities

Publication details

Journal / source
Molbank
Publisher
MDPI AG
Volume
2026
Issue
4
Pages
M2197–M2197
Publication date
1 July 2026
Language
EN