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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H20O6
IUPAC Name (2s)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one
Molecular Mass 356.369 g·mol−1
Heat of Formation -899.2 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 410.37 Å 3
Surface Area 368.25 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromanone
  • (2s)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychroman-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-di- hydroxy-, (s)-
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-dihydroxy-, (s)-
  • sigmoidin b
  • sigmoidin-b
CAS Number(s)
  • 87746-47-2
InChIKey SFQIGPZCFNTPOD-KRWDZBQOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O