Cymarin
Properties
| Property | Value |
|---|---|
| Formula | C30H44O9 |
| IUPAC Name | (3s,5s,8r,9r,10s,13r,14r,17r)-5,14-dihydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Molecular Mass | 548.665 g·mol−1 |
| Heat of Formation | -1669.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.73 ± 1.08 D |
| Volume | 655.82 Å 3 |
| Surface Area | 492.97 Å 2 |
| HOMO Energy | -9.95 ± 0.55 eV |
| LUMO Energy | -0.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XQCGNURMLWFQJR-SVBRVFONSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |