(3Ar,4S,6As,9Ar,9Bs)-4,6A-Dihydroxy-9-Methyl-3,6-Bis(Methylene)-3A,4,5,6,6A,7,9A,9B-Octahydroazuleno[4,5-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
Molecular Mass 262.301 g·mol−1
Heat of Formation -587.8 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 310.69 Å 3
Surface Area 260.45 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,7,9a,9b-hexahydroazuleno[5,4-d]furan-2-one
  • (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,7,9a,9b-hexahydroazuleno[5,4-d]furan-2-one
  • azuleno(4,5-b)furan-2(3h)-one, 3a,4,5,6,6a,7,9a,9b-octahydro-4,6a-dihydroxy-9-methyl-3,6-bis(methylene)-, (3ar-(3aalpha,4alpha,6aalpha,9aalpha,9bbeta))-
  • rupicolin b
CAS Number(s)
  • 41653-83-2
InChIKey ZDBHCMLPJQZVAX-IHWVXMPCSA-N
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