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89913-60-0

89913-60-0 structural image
Product Name: (3alpha,4beta)-3-(Acetyloxy)olean-12-en-23-oic acid
Formula: C32H50O4
Synonyms: α-Boswellic acid acetate;(3α,4β)-3-(Acetyloxy)olean-12-en-23-oic acid;3α-(Acetyloxy)olean-12-en-24-oic acid
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COMPUTED DESCRIPTORS

Molecular Weight 498.7 g/mol
XLogP3 8.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 498.37091007 g/mol
Monoisotopic Mass 498.37091007 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 996
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

3-alpha-O-acetyl-alpha-boswellic acid is a triterpenoid. It has a role as a metabolite.