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3604-87-3

3604-87-3 structural image
Product Name: Ecdysone
Formula: C27H44O6
Synonyms: 2β,3β,14α,22(R),25-Pentahydroxy-7-cholesten-6-one
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COMPUTED DESCRIPTORS

Molecular Weight 464.6 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 464.31378912 g/mol
Monoisotopic Mass 464.31378912 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 821
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Ecdysone is a 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. It has a role as a prohormone. It is a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid, a 25-hydroxy steroid, a 6-oxo steroid, a 3beta-sterol and an ecdysteroid. It derives from a hydride of a 5beta-cholestane.