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561-94-4

561-94-4 structural image
Product Name: ergosine
Formula: C30H37N5O5
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COMPUTED DESCRIPTORS

Molecular Weight 547.6 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 547.27946930 g/mol
Monoisotopic Mass 547.27946930 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 1140
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

Ergosine is an ergot alkaloid isolated from the fungus Epichloe typhina. It has a role as a fungal metabolite. It derives from a hydride of an ergotaman.