Dihydroergocornine

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Properties Simple | Detailed

Formula C31H41N5O5
IUPAC Name dihydroergocornine
Molecular Mass 563.688 g·mol−1
Heat of Formation -818.1 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 676.41 Å 3
Surface Area 519.68 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione (5'alpha,10alpha)-
  • 9,10-dihydroergocornine
  • bpbio1_000394
  • d.h.o. 180
  • ergocornine, 9,10-dihydro-
  • ergocornine, dihydro- (7ci)
  • ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,10alpha)-
  • pdsp2_001087
CAS Number(s)
  • 25447-65-8
InChIKey SEALOBQTUQIVGU-QNIJNHAOSA-N
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