(1S,2R,4S,12S,13R)-7-Hydroxy-13-Methoxy-3,11,21,22-Tetraoxaheptacyclo[10.9.1.1~1,6~.1~12,16~.0~2,4~.0~10,24~.0~20,23~]Tetracosa-6(24),7,9,16(23),17,19-Hexaene-5,15-Dione
Properties
| Property | Value |
|---|---|
| Formula | C21H14O8 |
| IUPAC Name | (1s,2r,4s,12s,13r)-7-hydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1 1,6 .1 12,16 .0 2,4 .0 10,24 .0 20,23 ]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,15-dione |
| Molecular Mass | 394.331 g·mol−1 |
| Heat of Formation | -914.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.68 ± 1.08 D |
| Volume | 397.96 Å 3 |
| Surface Area | 334.34 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NVGIJVUQQFDOAD-HJSZTXSCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |