| Melting point |
158-1600C |
| alpha |
D +24.5° (chloroform) |
| Boiling point |
416.25°C (rough estimate) |
| Density |
1.1236 (rough estimate) |
| refractive index |
1.5000 (estimate) |
| storage temp. |
room temp |
| solubility |
DMSO: soluble20mg/mL, clear |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D +17 to +24°, c = 1 in chloroform-d |
| Water Solubility |
272.4ug/L(25 ºC) |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/s3 |
| InChIKey |
UJVLDDZCTMKXJK-MUWITHSMNA-N |
| SMILES |
[C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C |&1:0,8,10,20,22,26,r| |
| LogP |
2.54 at 25℃ |
| CAS DataBase Reference |
976-71-6 |
| NIST Chemistry Reference |
Canrenone(976-71-6) |
