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

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Properties Simple | Detailed

Formula C25H28O6
IUPAC Name (2s)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one
Molecular Mass 424.486 g·mol−1
Heat of Formation -948.1 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 511.61 Å 3
Surface Area 444.26 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromanone
  • (2s)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychroman-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxy-2,5-bis(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-dihydroxy-, (s)-
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxy-2,5-bis(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5- ,7-dihydroxy-, (s)-
  • sigmoidin a
  • sigmoidin-a
CAS Number(s)
  • 87746-48-3
InChIKey BVHLNRAYBCPKOY-NRFANRHFSA-N
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