(1β,11Alpha,12Alpha,15β)-1,11,12-Trihydroxy-2,16-Dioxo-11,20-Epoxypicrasa-3,13(21)-Dien-15-Yl (2E)-2-Undecenoate

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Properties Simple | Detailed

Formula C31H42O9
IUPAC Name (1beta,11alpha,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2e)-2-undecenoate
Molecular Mass 558.660 g·mol−1
Heat of Formation -1573.9 ± 16.7 kJ·mol−1
Dipole Moment 9.12 ± 1.08 D
Volume 664.21 Å 3
Surface Area 530.5 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 11,20-epoxy-1,11,12-trihydroxy-15-(2-undecenoyl)oxypicras-3,13(21)-diene-2,16-dione
  • picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-((1-oxo-2-undecenyl)oxy)-, (1beta,11beta,12alpha,15beta(e))-
  • sun-0237
CAS Number(s)
  • 87790-39-4
InChIKey SRXBXVZOQNUGMC-UBOCCBBCSA-N
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