(13β)-2-Oxospartein-13-Yl 1H-Pyrrole-2-Carboxylate

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Properties Simple | Detailed

Formula C20H27N3O3
IUPAC Name (13beta)-2-oxospartein-13-yl 1h-pyrrole-2-carboxylate
Molecular Mass 357.447 g·mol−1
Heat of Formation -486.3 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 422.15 Å 3
Surface Area 332.27 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s-(2alpha,7beta,7abeta,14beta,14aalpha))-1h-pyrrole-2-carboxylic acid, dodecahydro-11-oxo-7,14-methano-2h,6h-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-yl ester
  • 13-hydroxylupanine-2-pyrrolecarboxylic acid ester
  • 1h-pyrrole-2-carboxylic acid, dodecahydro-11-oxo-7,14-methano-2h,6h-dipyrido(1,2-alpha:1',2'-e)(1,5)diazocin-2-yl ester, (2s-(2-alpha,7-beta,7a-beta,14-beta,14a-alpha))-
  • oroboidine
InChIKey YFRYJFMFQOBOSY-YDRHNJASSA-N
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