(3Ar,4R,5R,9Ar,9Bs)-4,9A-Dihydroxy-6,9-Dimethyl-3-Methylene-2,7-Dioxo-2,3,3A,4,5,7,9A,9B-Octahydroazuleno[4,5-B]Furan-5-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H22O7
IUPAC Name [(3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] (z)-2-methylbut-2-enoate
Molecular Mass 374.384 g·mol−1
Heat of Formation -1035.5 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 427.47 Å 3
Surface Area 350.0 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-2,7-diketo-6,9-dimethyl-3-methylene-3a,4,5,9b-tetrahydroazuleno[7,8-d]furan-5-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[8,7-b]furan-5-yl] ester
  • 2-butenoic acid, 2-methyl-, (3ar,4r,5r,9ar,9bs)-2,3,3a,4,5,7,9a,9b-octahydro-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2z)-
  • [(3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[8,7-b]furan-5-yl] (z)-2-methylbut-2-enoate
  • [(3ar,4r,5r,9ar,9bs)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[8,7-b]furan-5-yl] (z)-2-methylbut-2-enoate
  • pumilene
  • pumilin
CAS Number(s)
  • 1405-19-2
InChIKey SLZLXIXUYNEOBA-MELKTAGESA-N
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