Cerulenin

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Properties Simple | Detailed

Formula C12H17NO3
IUPAC Name (2r,3s)-3-[(4e,7e)-nona-4,7-dienoyl]oxirane-2-carboxamide
Molecular Mass 223.268 g·mol−1
Heat of Formation -360.9 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 283.69 Å 3
Surface Area 244.87 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2,3-epoxy-4-oxo-7e,10e-dodecadienamide
  • (2r,3s)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
  • (2r,3s)-3-[(4e,7e)-1-oxonona-4,7-dienyl]-2-oxiranecarboxamide
  • (2r,3s)-3-[(4e,7e)-nona-4,7-dienoyl]oxirane-2-carboxamide
  • (2r,3s)-3-nona-4,7-dienoyloxirane-2-carboxamide
  • (2r-(2alpha,3alpha(4e,7e)))-3-(1-oxonona-4,7-dienyl)oxirane-2-carboxamide
  • (2s)(3r)-2,3-epoxy-4-oxo-7,10-dodecadienoylamide
  • 2,3-epoxy-4-oxo-7,10-dodecadienamide
  • 3-(1-oxo-4,7-nonadienyl)oxiranecarboxamide
  • 7,10-dodecadienamide, 2,3-epoxy-4-oxo-
  • [2r-[2.alpha.,3.alpha.(4e,7e)]]-3-(1-oxo-4,7-nonadienyl)oxiranecarboxamide
  • bio2_000478
  • bio2_000958
  • cerulenin, <i>cephalosporium caerulens
  • crl
  • helicocerin
  • oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2r-(2-alpha,3-alpha(4e,7e)))- (9ci)
  • oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2r-(2alpha,3alpha(4e,7e)))-
CAS Number(s)
  • 17397-89-6
InChIKey GVEZIHKRYBHEFX-NQQPLRFYSA-N
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