(5Z)-5-[(1S,4S,5R,6S,8S,9S,13S)-9-(3-Hydroxybutyl)-4-Methyl-2,14-Dioxa-10-Azapentacyclo[6.5.1.0~1,5~.0~6,10~.0~9,13~]Tetradec-3-Ylidene]-4-Methoxy-3-Methyl-2(5H)-Furanone
Properties
| Property | Value |
|---|---|
| Formula | C22H29NO6 |
| IUPAC Name | (5z)-5-[(1s,4s,5r,6s,8s,9s,13s)-9-(3-hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0 1,5 .0 6,10 .0 9,13 ]tetradec-3-ylidene]-4-methoxy-3-methyl-2(5h)-furanone |
| Molecular Mass | 403.469 g·mol−1 |
| Heat of Formation | -847.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.43 ± 1.08 D |
| Volume | 469.3 Å 3 |
| Surface Area | 388.02 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -0.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CNEADBPJIPHAPD-ARXSVONOSA-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 |