Cymarin
Properties
| Property | Value |
|---|---|
| Formula | C30H44O9 |
| IUPAC Name | (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2s,4r,5s,6s)-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 | -1738.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.80 ± 1.08 D |
| Volume | 648.05 Å 3 |
| Surface Area | 488.17 Å 2 |
| HOMO Energy | -9.79 ± 0.55 eV |
| LUMO Energy | 2.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XQCGNURMLWFQJR-ZEWWYMEZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |