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

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Properties Simple | Detailed

Formula C21H26O4
IUPAC Name (3br,9bs)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
Molecular Mass 342.429 g·mol−1
Heat of Formation -654.5 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 417.77 Å 3
Surface Area 344.32 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3br,9bs)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one
  • (3br,9bs)-9-hydroxy-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-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3br-trans)-
CAS Number(s)
  • 81827-74-9
InChIKey YQHBJMHUMJXFDN-KKSFZXQISA-N
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