6-{6-O-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]-β-D-Glucopyranosyl}-8-Methoxy[1,3]Benzodioxolo[6,5,4-Cd]Benzo[F]Indol-5(6H)-One

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Properties Simple | Detailed

Formula C32H27NO11
IUPAC Name 6-{6-o-[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]-β-d-glucopyranosyl}-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one
Molecular Mass 601.557 g·mol−1
Heat of Formation -1409.3 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 649.56 Å 3
Surface Area 553.23 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • aristolactam-n-(6'-trans-p-coumaroyl)-beta-d-glucopyranoside
  • benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6h)-one, 6-(6-o-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-d-glucopyranosyl)-8-methoxy-, (e)-
  • n-((6'-p-coumaroyl)glucopyranosyl)aristolactam
  • n-((6'-trans-p-coumaroyl)-beta-d-glucopyranosyl)aristolactam
  • n-(cglu)a
CAS Number(s)
  • 145613-84-9
InChIKey POLMXRJPIMTBPO-DSPNEAMJSA-N
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