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Home > Encyclopedia > Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate

Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate

Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate structure

Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate 

structure
  • CAS No:

    96287-38-6

  • Formula:

    C16H11ClO7

  • Chemical Name:

    Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate

  • Synonyms:

    1H-Oxepino[4,3-b][1]benzopyran-1-carboxylic acid,5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-,methyl ester,(1S)-;Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate;Chloromonilicin

Description

ChEBI: A natural product found in Monilia fructicola.

Methyl (1S)-5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate Basic Attributes

350.707

350.71

Characteristics

99.1

2.5

Drug Information

chloromonilicin

Computed Properties

Molecular Weight:350.70
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:350.0193304
Monoisotopic Mass:350.0193304
Topological Polar Surface Area:99.1
Heavy Atom Count:24
Complexity:665
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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