(5'α,10α)-5'-[(2R)-2-Butanyl]-12'-Hydroxy-2'-Isopropyl-3',6',18-Trioxo-9,10-Dihydroergotaman

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Formula C28H45N5O5
IUPAC Name (5'alpha,10alpha)-5'-[(2r)-2-butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman
Molecular Mass 531.687 g·mol−1
Heat of Formation -839.3 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 700.9 Å 3
Surface Area 527.62 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • 9,10alpha-dihydro-13'-epi-beta-ergocryptine
  • dcn 203-922
  • epicriptina [spanish]
  • epicriptine
  • epicriptinum [latin]
CAS Number(s)
  • 88660-47-3
InChIKey SBFXHXZNBNFPHV-PXXBSISHSA-N
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