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

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Properties Simple | Detailed

Formula C25H28O6
IUPAC Name (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2r)-2-isopropenyl-5-methyl-hex-5-enyl]chroman-4-one
Molecular Mass 424.486 g·mol−1
Heat of Formation -951.4 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 518.06 Å 3
Surface Area 379.36 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2r)-2-isopropenyl-5-methyl-hex-5-enyl]chroman-4-one
  • (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2r)-2-isopropenyl-5-methylhex-5-enyl]-4-chromanone
  • (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-5-enyl]chroman-4-one
  • (2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2r)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]chroman-4-one
InChIKey CBIZXZGHIBJYRA-CMJOXMDJSA-N
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