(2S)-5,7-Dihydroxy-2-[3-Hydroxy-4-Methoxy-5-(3-Methyl-2-Buten-1-Yl)Phenyl]-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name (2s)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chroman-4-one
Molecular Mass 370.396 g·mol−1
Heat of Formation -875.3 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 434.28 Å 3
Surface Area 379.6 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-4-chromanone
  • (2s)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chroman-4-one
  • (s)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)phenyl)-4h-1-benzopyran-4-one
  • 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-5-methoxy-3-(3-methyl-2-butenyl)phenyl)-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)phenyl)-, (s)-
  • sbmet
InChIKey UYGBXGAZUCKDDV-SFHVURJKSA-N
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