(3S,3As,5Ar,6R,9As,9Bs)-6-Hydroxy-3,5A-Dimethyl-9-Methylenedecahydronaphtho[1,2-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name (3s,3as,5ar,6r,9as,9bs)-6-hydroxy-3,5a-dimethyl-9-methylene-3a,4,5,6,7,8,9a,9b-octahydro-3h-benzo[g]benzofuran-2-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -590.1 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 312.5 Å 3
Surface Area 262.95 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5s,9r,10r)-10-hydroxy-5,9-dimethyl-13-methylene-3-oxatricyclo[7.4.0.0<2,6>]tridecan-4-one
  • (3s,3as,5ar,6r,9as,9bs)-6-hydroxy-3,5a-dimethyl-9-methylene-3a,4,5,6,7,8,9a,9b-octahydro-3h-benzo[g]benzofuran-2-one
  • (3s,3as,5ar,6r,9as,9bs)-6-hydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3h-naphtho[3,4-d]furan-2-one
  • 11-beta-h,13-dihydroreynosin
  • 11-epi-dihydroreynosin
  • dihydroreynosin
  • naphtho(1,2-b)furan-2(3h)-one, decahydro-6-hydroxy-3,5a-dimethyl-9-methylene-, (3s-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta))-
CAS Number(s)
  • 32223-12-4
InChIKey JWBPWNWPEVPCMJ-DMLGPZFASA-N
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