(5β,6E)-17-(Cyclopropylmethyl)-6-{(2E)-[(3β,20E)-3-Hydroxypregn-5-En-20-Ylidene]Hydrazono}-4,5-Epoxymorphinan-3,14-Diol
Properties
| Property | Value |
|---|---|
| Formula | C41H55N3O4 |
| IUPAC Name | (4s,4as,7e,7as,12br)-3-(cyclopropylmethyl)-7-[(e)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethylidenehydrazono]-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
| Molecular Mass | 653.893 g·mol−1 |
| Heat of Formation | -477.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.26 ± 1.08 D |
| Volume | 806.95 Å 3 |
| Surface Area | 608.95 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | -0.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BRUOIIRRNBKKHH-PDWGGTOTSA-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 |