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113122-50-2

113122-50-2 structural image
Product Name: myrocin C
Formula: C20H24O5
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COMPUTED DESCRIPTORS

Molecular Weight 328.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 328.16745924 g/mol
Monoisotopic Mass 328.16745924 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 738
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 7
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-Ethenyl-9-hydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadec-6-ene-8,11-dione is a natural product found in Albifimbria verrucaria and Myrothecium with data available.