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26563-64-4

26563-64-4 structural image
Product Name: 2α,3α-Dihydroxyolean-12-en-28-oic acid methyl ester
Formula: C31H50O4
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COMPUTED DESCRIPTORS

Molecular Weight 486.7 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 486.37091007 g/mol
Monoisotopic Mass 486.37091007 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 934
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl 3-epimaslinate is a natural product found in Shorea acuminata, Melissa officinalis, and Isodon japonicus with data available.