(2S,3S,4S)-1-(3-Hydroxyphenyl)-3-Isopropenyl-2,7-Dimethyl-2-(3-Methyl-2-Buten-1-Yl)-4-(3-Methyl-3-Buten-1-Yl)-6-Octen-1-One

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Properties Simple | Detailed

Formula C29H42O2
IUPAC Name (2s,3s,4s)-1-(3-hydroxyphenyl)-3-isopropenyl-2,7-dimethyl-2-(3-methylbut-2-enyl)-4-(3-methylbut-3-enyl)oct-6-en-1-one
Molecular Mass 422.643 g·mol−1
Heat of Formation -369.0 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 588.89 Å 3
Surface Area 429.07 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-1-(3-hydroxyphenyl)-2,7-dimethyl-2-(3-methylbut-2-enyl)-4-(3-methylbut-3-enyl)-3-prop-1-en-2-yl-oct-6-en-1-one
  • (2s,3s,4s)-1-(3-hydroxyphenyl)-2,7-dimethyl-2-(3-methylbut-2-enyl)-4-(3-methylbut-3-enyl)-3-prop-1-en-2-yloct-6-en-1-one
  • (2s,3s,4s)-1-(3-hydroxyphenyl)-3-isopropenyl-2,7-dimethyl-2-(3-methylbut-2-enyl)-4-(3-methylbut-3-enyl)oct-6-en-1-one
InChIKey MTCPKFHUPWTJSP-HWUUJZMBSA-N
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