(5'α)-5'-Benzyl-8',12'-Dihydroxy-2'-Methyl-3',6',18-Trioxo-9,10-Dihydroergotaman
Properties
| Property | Value |
|---|---|
| Formula | C33H37N5O6 |
| IUPAC Name | (6ar,9r,10ar)-n-[(1s,2s,4r,7s,10r)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide |
| Molecular Mass | 599.677 g·mol−1 |
| Heat of Formation | -832.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.59 ± 1.08 D |
| Volume | 697.22 Å 3 |
| Surface Area | 535.01 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AHRNWGXNCFKOII-ZRWQJYFDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |