(7α,13Beta)-2-Oxospartein-13-Yl 1H-Pyrrole-2-Carboxylate

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Properties Simple | Detailed

Formula C20H27N3O3
IUPAC Name (7alpha,13beta)-2-oxospartein-13-yl 1h-pyrrole-2-carboxylate
Molecular Mass 357.447 g·mol−1
Heat of Formation -219.3 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 428.76 Å 3
Surface Area 358.63 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • calpurnine
  • hoe 933
CAS Number(s)
  • 6874-80-2
InChIKey YFRYJFMFQOBOSY-WBOSRHFRSA-N
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