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72963-78-1

72963-78-1 structural image
Product Name: 9ALPHA-HYDROXY-8,13-EPOXY-LABD-14-EN-11-ONE
Formula: C20H32O3
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COMPUTED DESCRIPTORS

Molecular Weight 320.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 320.23514488 g/mol
Monoisotopic Mass 320.23514488 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 553
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

9alpha-Hydroxy-8,13-epoxy-labd-14-EN-11-one is a natural product found in Plectranthus barbatus with data available.