Methyl (2S,4Ar,6Ar,7R,9S,10As,10Br)-2-(3-Furyl)-6A,10B-Dimethyl-4,10-Dioxo-9-(2-Thiocyanatoacetoxy)Dodecahydro-2H-Benzo[F]Isochromene-7-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C24H27NO8S |
| IUPAC Name | methyl (2s,4ar,6ar,7r,9s,10as,10br)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetyl)oxy-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate |
| Molecular Mass | 489.538 g·mol−1 |
| Heat of Formation | -1182.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.62 ± 1.08 D |
| Volume | 556.64 Å 3 |
| Surface Area | 430.39 Å 2 |
| HOMO Energy | -9.71 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AZPUAKGNQXURGA-ZWLNRFIDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem Wikipedia ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |