Norbergenin

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Properties Simple | Detailed

Formula C13H14O9
IUPAC Name (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
Molecular Mass 314.245 g·mol−1
Heat of Formation -1485.7 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 318.79 Å 3
Surface Area 280.5 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
  • (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-methylol-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
  • pyrano(3,2-c)(2)benzopyran-6(2h)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2r-(2alpha,3beta,4alpha,4aalpha,10bbeta))-
CAS Number(s)
  • 79595-97-4
InChIKey GDYGAIKPBLFCKR-YWQRSDGBSA-N
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