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Home > Encyclopedia > [(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate

[(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate

[(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate structure

[(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate 

structure
  • CAS No:

    25644-08-0

  • Formula:

    C20H26O6

  • Chemical Name:

    [(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate

  • Synonyms:

    2-Butanoic acid,2-methyl-,dodecahydro-7-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl ester;

[(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate Basic Attributes

362.41700

362.17293854

DTXSID00180336

Characteristics

89.90000

1.95820

1.23g/cm3

536.4ºC

187.6ºC

1.545

9.58E-14mmHg at 25°C

Computed Properties

Molecular Weight:362.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:362.17293854
Monoisotopic Mass:362.17293854
Topological Polar Surface Area:89.9
Heavy Atom Count:26
Complexity:707
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate

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