(3Ar,4S,6Z,10Z,11Ar)-6,10-Bis(Hydroxymethyl)-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C19H26O6
IUPAC Name [(3ar,4r,6e,10e,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
Molecular Mass 350.406 g·mol−1
Heat of Formation -1036.1 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 430.45 Å 3
Surface Area 342.47 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3ar,4r,6e,10e,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2-methylpropionic acid [(3ar,4r,6e,10e,11ar)-2-keto-3-methylene-6,10-dimethylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4r,6e,10e,11ar)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • [(3ar,4r,6e,10e,11ar)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • propanoic acid, 2-methyl-, 2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4s*,6z,10z,11ar*))- (9ci)
  • trihydroxygermaeranolide isobutyrate
InChIKey IAKJNLGPQQXWAV-OWBFIBRNSA-N
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