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432-68-8

432-68-8 structural image
Product Name: ECHINENONE
Formula: C40H54O
Synonyms: β,β-Caroten-4-one
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COMPUTED DESCRIPTORS

Molecular Weight 550.9 g/mol
XLogP3 12.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 10
Exact Mass 550.417466342 g/mol
Monoisotopic Mass 550.417466342 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1300
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 9
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Echinenone is a carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. It has a role as a bacterial metabolite, a marine metabolite, an animal metabolite and a cofactor. It derives from a hydride of a beta-carotene.