| Melting point |
182-184°C |
| Boiling point |
473.1±45.0 °C(Predicted) |
| alpha |
D +87.6° |
| Density |
1.13±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
DMSO: >5mg/mL |
| pka |
13.04±0.40(Predicted) |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D +80 to +95°, c = 1 (CHCl3) |
| InChI |
InChI=1/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/s3 |
| InChIKey |
GCKFUYQCUCGESZ-BPIQYHPVSA-N |
| SMILES |
C([C@]12CC(=C)[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C)C |&1:1,5,7,17,19,23,r| |
| CAS DataBase Reference |
54048-10-1(CAS DataBase Reference) |
