Dihydro-A-Ergocryptine

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Properties Simple | Detailed

Formula C32H43N5O5
IUPAC Name dihydro-a-ergocryptine
Molecular Mass 577.714 g·mol−1
Heat of Formation -839.5 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 701.01 Å 3
Surface Area 546.39 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione
  • dihydroergocryptine
  • dihydroergokryptine
  • ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-
  • pdsp2_001088
CAS Number(s)
  • 25447-66-9
InChIKey PBUNVLRHZGSROC-VTIMJTGVSA-N
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