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19605-80-2

19605-80-2 structural image
Product Name: taxusin
Formula: C28H40O8
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COMPUTED DESCRIPTORS

Molecular Weight 504.6 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 504.27231823 g/mol
Monoisotopic Mass 504.27231823 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 992
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

Taxusin is a taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha, 9alpha, 10beta and 13alpha hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood. It has a role as a metabolite. It is a taxane diterpenoid, an acetate ester and a carbotricyclic compound.