4-Bromohamigeran B

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Formula C18H20Br2O3
IUPAC Name (1r,3ar,9bs)-7,9-dibromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione
Molecular Mass 444.158 g·mol−1
Heat of Formation -455.0 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 407.75 Å 3
Surface Area 319.04 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3ar,9bs)-7,9-dibromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-dione
  • (1r,3ar,9bs)-7,9-dibromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-quinone
  • (1r,3ar,9bs)-7,9-dibromo-6-hydroxy-3a,8-dimethyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-dione
InChIKey XKEGJOWTEPEJJA-YHRQMHJJSA-N
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Elements H C O Br