(1β,2Alpha,6Alpha,11Alpha,12Alpha)-1,2,11,12-Tetrahydroxy-16-Oxo-11,20-Epoxypicras-3-En-6-Yl 3-Methyl-2-Butenoate

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Formula C25H34O9
IUPAC Name (1beta,2alpha,6alpha,11alpha,12alpha)-1,2,11,12-tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate
Molecular Mass 478.532 g·mol−1
Heat of Formation -1661.5 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 541.81 Å 3
Surface Area 412.28 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 6-asoc
  • 6alpha-senecioyloxychaparrin
  • picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-
InChIKey GHYBVLUUZDLXRW-ASJGUVDWSA-N
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Elements H C O