(5Ar,9R,9As,9Br)-9-Hydroxy-3-(Hydroxymethyl)-5A,9-Dimethyl-5,5A,6,7,8,9,9A,9B-Octahydronaphtho[1,2-B]Furan-2(4H)-One

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Formula C15H22O4
IUPAC Name (5ar,9r,9as,9br)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4h-benzo[g]benzofuran-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -802.1 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 318.16 Å 3
Surface Area 265.55 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-4-epi-arbusclin d
  • (5ar,9r,9as,9br)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4h-benzo[g][1]benzoxol-2-one
  • (5ar,9r,9as,9br)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4h-benzo[g]benzofuran-2-one
  • (5ar,9r,9as,9br)-9-hydroxy-5a,9-dimethyl-3-methylol-5,6,7,8,9a,9b-hexahydro-4h-benzo[g]benzofuran-2-one
  • 4alpha,12-dihydroxyeudesm-7(11)-eno-13,6alpha-lactone
  • 4beta,12-dihydroxyeudesm-7(11)-eno-13,6alpha-lactone
  • arbusclin d
  • naphtho(1,2-b)furan-2(4h)-one, 5,5a,6,7,8,9,9a,9b-octahydro-9-hyddroxy-3-(hydroxymethyl)-5a,9-dimethyl-, (5ar-(5aalpha,9alpha,9abeta,9balpha))-
CAS Number(s)
  • 145613-48-5
InChIKey VHSOLPPARHTCAY-CTHBEMJXSA-N
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