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Home > Encyclopedia > (E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester

(E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester

(E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester structure

(E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester 

structure
  • CAS No:

    11091-28-4

  • Formula:

    C22H28O7

  • Chemical Name:

    (E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester

  • Synonyms:

    (E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester;Marginatin

(E)-2-Methyl-2-butenoic acid [(1aR,4E,7S,10aS,10bR)-8-acetoxymethyl-1a,2,3,6,7,9,10a,10b-octahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl] ester Basic Attributes

404.45352

404.184

Characteristics

91.4

1.8

Computed Properties

Molecular Weight:404.5
XLogP3:1.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:404.18350323
Monoisotopic Mass:404.18350323
Topological Polar Surface Area:91.4
Heavy Atom Count:29
Complexity:819
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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