(1R,2R,4S,12R,13S,16Z)-13-Hydroxy-25-(8-Hydroxy-9H-β-Carbolin-1-Yl)-11,22-Diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-16,25-Dien-7-One
Properties
| Property | Value |
|---|---|
| Formula | C36H44N4O3 |
| IUPAC Name | (1r,2r,4s,12r,13s,16z)-13-hydroxy-25-(8-hydroxy-9h-β-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-16,25-dien-7-one |
| Molecular Mass | 580.760 g·mol−1 |
| Heat of Formation | -206.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.82 ± 1.08 D |
| Volume | 699.76 Å 3 |
| Surface Area | 494.8 Å 2 |
| HOMO Energy | -8.06 ± 0.55 eV |
| LUMO Energy | -0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KYLZDBBEWRTKTG-PYBBOEBHSA-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 |