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

Molecule SVG Image

Properties Simple | Detailed

Formula C23H16O9
IUPAC Name (1beta,11alpha,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (2e)-3-methyl-2-octenoate
Molecular Mass 436.368 g·mol−1
Heat of Formation -1556.5 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 622.35 Å 3
Surface Area 483.28 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 11,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-2-octenoyl)oxypicras-3,13(21)-diene-2,16-dione
  • picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-((3-methyl-1-oxo-2-octenyl)oxy)-, (1beta,11beta,12alpha,15beta(e))-
  • sun-2071
CAS Number(s)
  • 92211-45-5
InChIKey XOCICDFNNMOAKJ-OLGFVZGESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O