Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
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Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
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CAS No:
85700-43-2
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Formula:
C25H34O7
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Chemical Name:
Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
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Synonyms:
Prosta-5,7,10,14-tetraen-1-oic acid,4,12-bis(acetyloxy)-9-oxo-,methyl ester,(4R,5E,7E,12α,14Z)-;Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate;(+)-Clavulone II;Clavulone II;Claviridenone c;85646-53-3
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CAS No:
Description
Clavulone II is a clavulone, a methyl ester and an acetate ester. It has a role as an antineoplastic agent.
Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate Basic Attributes
446.53326
446.53
Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate Use and Manufacturing
Fatty Acyls [FA] -> Eicosanoids [FA03] -> Clavulones [FA0312]
Computed Properties
Molecular Weight:446.5
XLogP3:4.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:16
Exact Mass:446.23045342
Monoisotopic Mass:446.23045342
Topological Polar Surface Area:96
Heavy Atom Count:32
Complexity:788
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (4R,5E,7E,12α,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
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