Eupatoriopicrin

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(3ar,4r,6e,10e,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Molecular Mass 362.417 g·mol−1
Heat of Formation -927.4 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 443.1 Å 3
Surface Area 353.04 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3ar,4r,6e,10e,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • (e)-4-hydroxy-2-methylol-but-2-enoic acid [(3ar,4r,6e,10e,11ar)-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4r,6e,10e,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
  • [(3ar,4r,6e,10e,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
CAS Number(s)
  • 6856-01-5
InChIKey VWJYWGYJIDQUEG-DKDOXNMLSA-N
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