(3Br,9Bs)-7-Isopropyl-6-Methoxy-9B-Methyl-3B,4,5,9B,10,11-Hexahydrophenanthro[1,2-C]Furan-1(3H)-One

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Formula C21H26O3
IUPAC Name (3br,9bs)-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
Molecular Mass 326.429 g·mol−1
Heat of Formation -479.7 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 405.53 Å 3
Surface Area 337.02 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3br,9bs)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one
  • (3br,9bs)-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one
  • phenanthro(1,2-c)furan-1(3h)-one, 3b,4,5,9b,10,11-hexahydro-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3br-trans)-
  • triptophenolide methyl ether
CAS Number(s)
  • 74311-48-1
InChIKey JQYCSQASGZODFD-GHTZIAJQSA-N
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