(4Ar,10Br)-4A-Hydroxy-8-Isopropyl-9-Methoxy-4,4,10B-Trimethyl-1,2,3,4,4A,10B-Hexahydro-6H-Benzo[C]Chromen-6-One

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Formula C20H28O4
IUPAC Name (4ar,10br)-4a-hydroxy-8-isopropyl-9-methoxy-4,4,10b-trimethyl-2,3-dihydro-1h-benzo[c]chromen-6-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -824.1 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 411.26 Å 3
Surface Area 331.15 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10br)-4a-hydroxy-8-isopropyl-9-methoxy-4,4,10b-trimethyl-2,3-dihydro-1h-benzo[c]isochromen-6-one
  • (4ar,10br)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1h-benzo[c]isochromen-6-one
  • 5-hydroxy-6-oxasugiol
  • 6h-dibenzo(b,d)pyran-6-one, 1,2,3,4,4a,10b-hexahydro-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-(1-methylethyl)-, (4ar-cis)-
  • cupresol
CAS Number(s)
  • 54868-50-7
InChIKey MCRAIDDVIKPKMP-WOJBJXKFSA-N
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