Bergenin

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Formula C14H16O9
IUPAC Name (2r,3s,4s,4ar,10bs)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
Molecular Mass 328.271 g·mol−1
Heat of Formation -1454.3 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 344.17 Å 3
Surface Area 300.92 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,4ar,10bs)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
  • (2r,3s,4s,4ar,10bs)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
  • 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(h)-one
  • 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2h)-one
  • 4-methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone
  • 477-90-7 (anydrous)
  • bb_nc-1749
  • bergenin (jan)
  • d01040
  • pyrano[3,2-c][2]benzopyran-6(2h)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2r,3s,4s,4ar,10bs)-
CAS Number(s)
  • 477-90-7
InChIKey YWJXCIXBAKGUKZ-HJJNZUOJSA-N
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