(5'α)-5'-Benzyl-2'-Ethyl-12'-Hydroxy-3',6',18-Trioxoergotaman
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |