3-{[(16β,17β)-3,17-Dihydroxyestra-1(10),2,4-Trien-16-Yl]Methyl}Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C26H31NO3 |
| IUPAC Name | 3-[[(8r,9s,13s,14s,16r,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide |
| Molecular Mass | 405.529 g·mol−1 |
| Heat of Formation | -513.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.45 ± 1.08 D |
| Volume | 501.19 Å 3 |
| Surface Area | 412.41 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | -0.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RSVOVHDOLNWYER-RYZVYYIHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |