(3α,4Beta,12R)-3-Hydroxy-12,13-Epoxytrichothec-9-En-4,15-Diyldiacetat

Molecule SVG Image

Properties Simple | Detailed

Formula C19H26O7
IUPAC Name [(1s,2r,7r,9r,10r,11s,12r)-11-acetoxy-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Molecular Mass 366.406 g·mol−1
Heat of Formation -1156.6 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 424.02 Å 3
Surface Area 338.63 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 12,13-epoxytrichothec-9-ene-3alpha,4beta,15-triol 4,15-diacetate
  • 3-alpha-hydroxy-4-beta,15-diacetoxy-12,13-epoxytrichothec-9-ene
  • 4,15-di-o-acetylscirpenol
  • 4,15-diacetoxyscirp-9-en-3-ol
  • 4,15-diacetoxyscirpen-3-ol
  • 4,15-diacetoxyscirpenol
  • 4.beta.,15-diacetoxy-3.alpha.-hydroxy-12,13-epoxytrichothec-9-ene
  • 4beta,15-diacetoxy-3alpha-hydroxy-12,13-epoxytrichothec-9-ene
  • ang 66
  • anguidine
  • diacetoxyscirpenol
  • scirp-9-ene-3alpha,4beta,15-triol, 4,15-diacetate
  • scirpenetriol 4,15-diacetate
  • trichothec-9-3n3-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta)-
  • trichothec-9-ene, 12,13-epoxy-4beta,15-diazetoxy-3alpha-hydroxy-
  • trichothec-9-ene-3.alpha.,4.beta.,15-triol, 12,13-epoxy-, 4,15-diacetate
CAS Number(s)
  • 2270-40-8
  • 109547-11-7
  • 11011-10-2
  • 145427-91-4
  • 22135-66-6
  • 25662-95-7
  • 28776-47-8
InChIKey AUGQEEXBDZWUJY-ZLJUKNTDSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O