(3S,3Ar,4S,6S,6As,8R,9R,9Ar,9Bs)-6-Acetoxy-4-(Butyryloxy)-3,3A-Dihydroxy-3,6,9-Trimethyl-2-Oxododecahydroazuleno[4,5-B]Furan-8-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C26H38O10
IUPAC Name [(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] (z)-2-methylbut-2-enoate
Molecular Mass 510.574 g·mol−1
Heat of Formation -2024.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 603.86 Å 3
Surface Area 456.4 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetoxy-4-butyryloxy-3,3a-dihydroxy-2-keto-3,6,9-trimethyl-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] ester
  • [(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] (z)-2-methylbut-2-enoate
  • [(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] (z)-2-methylbut-2-enoate
InChIKey INROUDCDOCKFKL-SBRSFKGSSA-N
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