(1S,2S,4R,8R,9S,10Z,12R)-11-{[(2-O-Acetyl-β-D-Arabinopyranosyl)Oxy]Methyl}-8-Isopropyl-12-Methoxy-1,5-Dimethyl-15-Oxatricyclo[10.2.1.0~4,9~]Pentadeca-5,10,13-Trien-2-Yl (2E)-3-(1-Methyl-1H-Imidazol-4-Yl)Acrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H50N2O10
IUPAC Name eleutherobin
Molecular Mass 658.779 g·mol−1
Heat of Formation -1541.7 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 792.69 Å 3
Surface Area 540.57 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • b
  • e
  • h
  • i
  • l
  • n
  • o
  • r
  • t
  • u
InChIKey XOPYFXBZMVTEJF-PDACKIITSA-N
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DOI
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