(3S,5R,8R,9S,10R,12S,13R,14S,17R)-17-[(3R,5R)-3,5-Dihydroxy-7-Oxoheptyl]-3-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[A]Phenanthren-12-Yl 2-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C31H50O6 |
| IUPAC Name | [(3s,5r,8r,9s,10r,12s,13r,14s,17r)-17-[(3r,5r)-3,5-dihydroxy-7-oxo-heptyl]-3-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-12-yl] (2r)-2-methylbutanoate |
| Molecular Mass | 518.725 g·mol−1 |
| Heat of Formation | -1366.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.24 ± 1.08 D |
| Volume | 675.33 Å 3 |
| Surface Area | 491.31 Å 2 |
| HOMO Energy | -9.77 ± 0.55 eV |
| LUMO Energy | 3.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WUCBKSXKBHLVNA-NGGGIDLDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |