(3β,5β)-3,11,14-Trihydroxy-12-Oxobufa-9(11),20,22-Trienolide
Properties
| Property | Value |
|---|---|
| Formula | C24H30O6 |
| IUPAC Name | 5-[(3s,5r,8r,10s,13r,14s,17r)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]pyran-2-one |
| Molecular Mass | 414.491 g·mol−1 |
| Heat of Formation | -1034.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.12 ± 1.08 D |
| Volume | 481.93 Å 3 |
| Surface Area | 371.09 Å 2 |
| HOMO Energy | -9.33 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UJNYXLCWBDUNMH-UQPKIQGCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |