(4S,4As,5S,8As,9As)-8A-Hydroxy-4,9A-Dimethoxy-3,4A,5-Trimethyl-4A,5,6,7,8,8A,9,9A-Octahydronaphtho[2,3-B]Furan-2(4H)-One

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Properties Simple | Detailed

Formula C17H26O5
IUPAC Name (4s,4as,5s,8as,9as)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one
Molecular Mass 310.385 g·mol−1
Heat of Formation -961.1 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 376.73 Å 3
Surface Area 294.77 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,4as,5s,8as,9as)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzoxol-2-one
  • (4s,4as,5s,8as,9as)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one
  • naphtho(2,3-b)furan-2(4h)-one, 4a,5,6,7,8,8a,9,9a-octahydro-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-, (4s,4as,5s,8as,9as)-
CAS Number(s)
  • 69618-93-5
InChIKey YXGXDLSSHQUMKC-ROBJAKRVSA-N
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