Cyrneine A
Properties
| Property | Value |
|---|---|
| Formula | C20H28O3 |
| IUPAC Name | (3r,3ar,5ar,6s)-3,6-dihydroxy-1-isopropyl-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde |
| Molecular Mass | 316.435 g·mol−1 |
| Heat of Formation | -540.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.80 ± 1.08 D |
| Volume | 410.09 Å 3 |
| Surface Area | 317.98 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IXBCZHOTZLYJDA-CUDHKJQZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |