Glyceollin I

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Properties Simple | Detailed

Formula C20H18O5
IUPAC Name glyceollin i
Molecular Mass 338.354 g·mol−1
Heat of Formation -648.0 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 380.24 Å 3
Surface Area 333.0 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-glyceollin i
  • (6as,11as)-2,2-dimethyl-2h,6h-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11ah)-diol
  • 2h,6h-benzofuro(3,2-c)pyrano(2,3-h)(1)benzopyran-6a,9(11ah)-diol, 2,2-dimethyl-
  • glyceollin
CAS Number(s)
  • 57103-57-8
InChIKey YIFYYPKWOQSCRI-AZUAARDMSA-N
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DOI
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