(1S,3As,3Br,5As,10As,10Bs,12As)-1-Hydroxy-1,10A,12A-Trimethyl-2,3,3A,3B,4,5,5A,6,7,8,10,10A,10B,11,12,12A-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-F]Indazol-9(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C21H32N2O2 |
| IUPAC Name | (1s,3as,3br,5as,10as,10bs,12as)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,9-diol |
| Molecular Mass | 344.491 g·mol−1 |
| Heat of Formation | -415.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.09 ± 1.08 D |
| Volume | 434.95 Å 3 |
| Surface Area | 341.44 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SWPAIUOYLTYQKK-YEZTZDHTSA-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 |