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

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Properties Simple | Detailed

Formula C20H24O3
IUPAC Name (3br,9bs)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
Molecular Mass 312.403 g·mol−1
Heat of Formation -507.6 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 381.25 Å 3
Surface Area 320.7 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3br,9bs)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one
  • (3br,9bs)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one
  • phenanthro(1,2-c)furan-1(3h)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3br-trans)-
  • sdccgmls-0066775.p001
  • triptophenolide
  • tryptophenolide
CAS Number(s)
  • 74285-86-2
InChIKey KPXIBWGPZSPABK-FXAWDEMLSA-N
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