(2S)-2-(2,4-Dihydroxyphenyl)-7-Hydroxy-8-[(2R)-2-Isopropenyl-5-Methyl-4-Hexen-1-Yl]-5-Methoxy-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C26H30O6
IUPAC Name (2s)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2r)-2-isopropenyl-5-methyl-hex-4-enyl]-5-methoxy-chroman-4-one
Molecular Mass 438.513 g·mol−1
Heat of Formation -929.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 537.25 Å 3
Surface Area 394.46 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one
  • (2s)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one
  • (2s)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2r)-2-isopropenyl-5-methyl-hex-4-enyl]-5-methoxy-chroman-4-one
  • (2s)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2r)-2-isopropenyl-5-methylhex-4-enyl]-5-methoxy-4-chromanone
InChIKey LTTQKYMNTNISSZ-MWTRTKDXSA-N
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