Paeoniflorin

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Properties Simple | Detailed

Formula C23H28O11
IUPAC Name paeoniflorin
Molecular Mass 480.462 g·mol−1
Heat of Formation -1782.8 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 534.75 Å 3
Surface Area 424.96 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-glucopyranoside, (1ar,2s,3ar,5r,5ar,5bs)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1h-3,4-dioxacyclobuta[cd]pentalen-1a(2h)-yl
CAS Number(s)
  • 23180-57-6
InChIKey YKRGDOXKVOZESV-WRJNSLSBSA-N
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