(1R,5R,7R,8R)-4-Hydroxy-1-Isobutyryl-8-Methyl-3,5,7-Tris(3-Methyl-2-Buten-1-Yl)-8-(4-Methyl-3-Penten-1-Yl)Bicyclo[3.3.1]Non-3-Ene-2,9-Dione

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Properties Simple | Detailed

Formula C35H52O4
IUPAC Name (1r,5r,6r,7r)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
Molecular Mass 536.785 g·mol−1
Heat of Formation -857.1 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 733.09 Å 3
Surface Area 506.37 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,7r,8r)-4-hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-quinone
  • (1r,5r,7r,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methyl-1-oxopropyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1r,5r,7r,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • 4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione
  • hyf
InChIKey KGSZHKRKHXOAMG-OJCNYLSASA-N
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