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Home > Encyclopedia > (E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester

(E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester

(E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester structure

(E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester 

structure
  • CAS No:

    79404-34-5

  • Formula:

    C20H22O7

  • Chemical Name:

    (E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester

  • Synonyms:

    (E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester;Disyhamifolide

(E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester Basic Attributes

374.38448

374.137

Characteristics

99.1

1.3

Computed Properties

Molecular Weight:374.4
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:374.13655304
Monoisotopic Mass:374.13655304
Topological Polar Surface Area:99.1
Heavy Atom Count:27
Complexity:807
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (E)-2-Methyl-2-butenoic acid [(2aS,12R)-4,5,7aα,9,10,10aβ,11,11aβ-octahydro-12-hydroxy-10-methylene-2,9-dioxo-3H-2a,6-methano-2H-oxete[2',3':4,5]cyclodeca[1,2-b]furan-11α-yl] ester

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