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

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Properties Simple | Detailed

Formula C20H22O4
IUPAC Name (3bs,9br)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydro-3h-naphtho[2,1-e]isobenzofuran-1,5-dione
Molecular Mass 326.386 g·mol−1
Heat of Formation -658.4 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 382.6 Å 3
Surface Area 322.66 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3bs,9br)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydro-3h-naphtho[3,4-e]isobenzofuran-1,5-dione
  • (3bs,9br)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydro-3h-naphtho[3,4-e]isobenzofuran-1,5-quinone
  • (3bs,9br)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3h-naphtho[4,3-g][2]benzoxole-1,5-dione
  • phenanthro(1,2-c)furan-1,5-dione, 3,3b,4,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, trans-
CAS Number(s)
  • 79548-61-1
InChIKey MHZZHUMKOAYLPH-QRWLVFNGSA-N
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