Dimethyl (2Ar,3S,4S,4Ar,5S,7As,8S,10R,10As,10Br)-3,8,10-Trihydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-Hydroxy-11-Methyl-5,7,10-Trioxatetracyclo[6.3.1.0~2,6~.0~9,11~]Dodec-3-En-9-Yl]-4-Methyloctahydro-1H-Furo[3',4':4,4A]Naphtho[1,8-Bc]Furan-5,10A(8H)-Dicarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C28H36O13 |
| IUPAC Name | dimethyl (2ar,3s,4s,4ar,5s,7as,8s,10r,10as,10br)-3,8,10-trihydroxy-4-[(1s,2s,6s,8s,9r,11s)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0 2,6 .0 9,11 ]dodec-3-en-9-yl]-4-methyloctahydro-1h-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8h)-dicarboxylate |
| Molecular Mass | 580.578 g·mol−1 |
| Heat of Formation | -2065.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.12 ± 1.08 D |
| Volume | 618.48 Å 3 |
| Surface Area | 436.92 Å 2 |
| HOMO Energy | -9.67 ± 0.55 eV |
| LUMO Energy | 3.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KPVJTWLSYIGGCU-KZBRQISASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |