Jiadifenin

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Properties Simple | Detailed

Formula C16H18O8
IUPAC Name jiadifenin
Molecular Mass 338.309 g·mol−1
Heat of Formation -1303.9 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 364.84 Å 3
Surface Area 288.69 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-4,6a-methano-3h-cyclopenta[c]furo[3,4-e]oxepin-6-carboxylic acid, 1,3a,4,7,8,9b-hexahydro-3a,6-dihydroxy-7,9b-dimethyl-3,8-dioxo-, methyl ester, (3ar,4r,6s,6ar,7r,9br)-
  • methyl rel-(3ar,4r,6s,6ar,7r,9br)-3a,6-dihydroxy-7,9b-dimethyl-3,8-dioxo-1,3a,4,7,8,9b-hexahydro-3h-4,6a-methanocyclopenta[c]furo[3,4-e]oxepine-6-carboxylate
InChIKey RVLZTXZDKYFFMN-DYQQQXBFSA-N
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