(−)-Hamigeran B

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Properties Simple | Detailed

Formula C18H21BrO3
IUPAC Name (1r,3ar,9br)-7-bromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione
Molecular Mass 365.262 g·mol−1
Heat of Formation -516.0 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 381.38 Å 3
Surface Area 307.73 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3ar,9br)-7-bromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-dione
  • (1r,3ar,9br)-7-bromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-quinone
  • (1r,3ar,9br)-7-bromo-6-hydroxy-3a,8-dimethyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[c]naphthalene-4,5-dione
InChIKey LJUSWSWJFIZLDY-AJAPIDPKSA-N
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Elements H C O Br