(1β,11β,12Alpha,13β,15β)-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-15-Yl (2R)-2-Acetoxybutanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H34O11
IUPAC Name (1beta,11beta,12alpha,13beta,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2r)-2-acetoxybutanoate
Molecular Mass 522.542 g·mol−1
Heat of Formation -1978.6 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 582.28 Å 3
Surface Area 438.87 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • quassimarin
CAS Number(s)
  • 59938-97-5
InChIKey QOXAISGIEITGJU-HGXLBWMBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O