(3R,3Ar,4R,6Ar,9Ar,9Br)-4-Hydroxy-3-Methyl-6,9-Bis(Methylene)Decahydroazuleno[4,5-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3r,3ar,4r,6ar,9ar,9br)-4-hydroxy-3-methyl-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[4,5-b]furan-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -506.8 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 303.38 Å 3
Surface Area 254.74 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,4r,6ar,9ar,9br)-4-hydroxy-3-methyl-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-2-one
  • (3r,3ar,4r,6ar,9ar,9br)-4-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-2-one
  • azuleno(4,5-b)furan-2(3h)-one, decahydro-4-hydroxy-3-methyl-6,9-bis(methylene)-, (3r-(3alpha,3abeta,4alpha,6abeta,9abeta,9balpha))-
CAS Number(s)
  • 107259-46-1
InChIKey MHUPGVCFEGYWMI-QQOHENMQSA-N
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