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

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Formula C15H18O4
IUPAC Name (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-6,9-dimethyl-3-methylene-4,7,9a,9b-tetrahydro-3ah-azuleno[4,5-b]furan-2-one
Molecular Mass 262.301 g·mol−1
Heat of Formation -578.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 311.99 Å 3
Surface Area 264.95 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-6,9-dimethyl-3-methylene-4,7,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2-one
  • (3ar,4s,6as,9ar,9bs)-4,6a-dihydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2-one
  • rupicolin a
CAS Number(s)
  • 41653-82-1
InChIKey ALNCFDHHBVHAKC-IHWVXMPCSA-N
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