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5289-74-7

5289-74-7 structural image
Product Name: Hydroxyecdysone
Formula: C27H44O7
Synonyms: β-Ecdysone;2β,3β,14α,20β,22,25-Hexahydroxy-7-cholesten-6-one;Ecdysterone;Insect moulting hormone;Polypodine A
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 237.5 - 239.5 °C
Collision Cross Section 221.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment

COMPUTED DESCRIPTORS

Molecular Weight 480.6 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 480.30870374 g/mol
Monoisotopic Mass 480.30870374 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 869
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

20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as a plant metabolite and an animal metabolite. It is a 20-hydroxy steroid, an ecdysteroid, a 14alpha-hydroxy steroid, a 3beta-sterol, a 2beta-hydroxy steroid, a 22-hydroxy steroid, a 25-hydroxy steroid and a phytoecdysteroid. It is functionally related to an ecdysone.