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

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Properties Simple | Detailed

Formula C15H24O3
IUPAC Name (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3h-benzo[g]benzofuran-2-one
Molecular Mass 252.349 g·mol−1
Heat of Formation -710.9 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 315.16 Å 3
Surface Area 262.06 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3h-benzo[g]benzofuran-2-one
  • (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3h-naphtho[3,4-d]furan-2-one
  • colartin
  • naphtho(1,2-b)furan-2(3h)-one, decahydro-9-hydroxy-3,5a,9-trimethyl-, (3s-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-
CAS Number(s)
  • 24493-40-1
InChIKey JVVPNUMNEHBXGD-WKKWAXIPSA-N
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