(1S,3Z,5R,7R)-3-[(3,4-Dihydroxyphenyl)(Hydroxy)Methylene]-1-[(2S)-2-Isopropenyl-5-Methyl-4-Hexen-1-Yl]-6,6-Dimethyl-5,7-Bis(3-Methyl-2-Buten-1-Yl)Bicyclo[3.3.1]Nonane-2,4,9-Trione

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Properties Simple | Detailed

Formula C38H50O6
IUPAC Name (1s,3z,5r,7r)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2s)-2-isopropenyl-5-methyl-hex-4-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Molecular Mass 602.800 g·mol−1
Heat of Formation -1045.9 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 781.77 Å 3
Surface Area 511.36 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z,5s,7r)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-5-[(2s)-2-isopropenyl-5-methyl-hex-4-enyl]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • (1r,3z,5s,7r)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylidene]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-[(2s)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
  • (1r,3z,5s,7r)-3-[(3,4-dihydroxyphenyl)-hydroxymethylene]-5-[(2s)-2-isopropenyl-5-methylhex-4-enyl]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
  • garcinol
CAS Number(s)
  • 78824-30-3
InChIKey DTTONLKLWRTCAB-BZSUNBQASA-N
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