(3Ar,4S,6R,6Ar,9Ar,9Br)-4,6-Dihydroxy-6,9-Dimethyl-3-Methylene-3A,4,5,6,6A,7,9A,9B-Octahydroazuleno[4,5-B]Furan-2(3H)-One

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Formula C15H20O4
IUPAC Name (3ar,4s,6r,6ar,9ar,9br)-4,6-dihydroxy-6,9-dimethyl-3-methylene-4,5,6a,7,9a,9b-hexahydro-3ah-azuleno[4,5-b]furan-2-one
Molecular Mass 264.317 g·mol−1
Heat of Formation -681.5 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 316.22 Å 3
Surface Area 263.69 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,6r,6ar,9ar,9br)-4,6-dihydroxy-6,9-dimethyl-3-methylene-4,5,6a,7,9a,9b-hexahydro-3ah-azuleno[5,4-d]furan-2-one
  • (3ar,4s,6r,6ar,9ar,9br)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3ah-azuleno[5,4-d]furan-2-one
InChIKey NKXCPQWCIOWQOE-NQHOMTGGSA-N
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