(5R,11R)-5,11-Diethyl-5,6,11,12-Tetrahydro-2,8-Chrysenediol

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Properties Simple | Detailed

Formula C22H24O2
IUPAC Name (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Molecular Mass 320.425 g·mol−1
Heat of Formation -299.4 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 403.41 Å 3
Surface Area 333.97 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (5r, 11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
  • (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
  • (r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
  • (r,r)-cis-diethyltetrahydro-2,8-chrysenediol
  • etc
InChIKey MASYAWHPJCQLSW-ZIAGYGMSSA-N
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