(9R)-5,8,9-Trihydroxy-5-Methyl-9-[(9R,10R,13R,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Decyl Bromoacetate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C32H51BrO9 |
| IUPAC Name | [(5r,8r,9r)-5,8,9-trihydroxy-5-methyl-9-[(2r,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]decyl] 2-bromoacetate |
| Molecular Mass | 659.646 g·mol−1 |
| Heat of Formation | -1961.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.22 ± 1.08 D |
| Volume | 750.73 Å 3 |
| Surface Area | 520.48 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | -0.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MKOAYSNIIVISQK-JDBJTZRNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |