(5'α)-5'-Benzyl-2'-Ethyl-12'-Hydroxy-3',6',18-Trioxoergotaman

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Formula C34H37N5O5
IUPAC Name (6ar,7s,9r)-n-[(1s,2s,4r,7s)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide
Molecular Mass 595.688 g·mol−1
Heat of Formation -571.6 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 695.12 Å 3
Surface Area 514.34 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey BOLCFGMGGWCOOE-CTTKVJGISA-N
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