(3As,5Ar,9S,9As,9Bs)-9-{[(3R,3Ar,6Ar,9Ar,9Br)-3-Hydroxy-6,9-Bis(Methylene)-2-Oxododecahydroazuleno[4,5-B]Furan-3-Yl]Methyl}-5A,9-Dimethyl-3-Methyleneoctahydronaphtho[1,2-B]Furan-2,6(3H,4H)-Dione

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Properties Simple | Detailed

Formula C30H38O6
IUPAC Name (3as,5ar,9s,9as,9bs)-9-[[(3r,3ar,6ar,9ar,9br)-3-hydroxy-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2,6-dione
Molecular Mass 494.619 g·mol−1
Heat of Formation -972.5 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 593.34 Å 3
Surface Area 448.58 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5ar,9s,9as,9bs)-9-[[(3r,3ar,6ar,9ar,9br)-3-hydroxy-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl]-5a,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2,6-quinone
  • (3as,5ar,9s,9as,9bs)-9-[[(3r,3ar,6ar,9ar,9br)-3-hydroxy-6,9-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl]-5a,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2,6-dione
  • (3as,5ar,9s,9as,9bs)-9-[[(3r,3ar,6ar,9ar,9br)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3ah-naphtho[6,5-d]furan-2,6-dione
InChIKey DLIISCBVNDNVDV-CSRVTHLVSA-N
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