(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-[(2R,3R,4S,5R,6R)-5-Hydroxy-3,4-Dimethoxy-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
Properties
| Property | Value |
|---|---|
| Formula | C31H46O10 |
| IUPAC Name | (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2r,3r,4s,5r,6r)-5-hydroxy-3,4-dimethoxy-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 | 578.691 g·mol−1 |
| Heat of Formation | -1871.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.21 ± 1.08 D |
| Volume | 679.97 Å 3 |
| Surface Area | 504.85 Å 2 |
| HOMO Energy | -9.79 ± 0.55 eV |
| LUMO Energy | 2.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BGGIZHKHJBQRTI-VTYGAKHASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |