| Melting point |
172-174° |
| alpha |
D26 +113.4° (c = 1.2 in chloroform). |
| Boiling point |
409.59°C (rough estimate) |
| Density |
1.0834 (rough estimate) |
| refractive index |
1.5192 (estimate) |
| storage temp. |
Store at RT |
| solubility |
chloroform: ≥5 mg/mL, clear, colorless |
| form |
powder |
| pka |
15.05±0.70(Predicted) |
| color |
white |
| InChI |
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/s3 |
| InChIKey |
DUHUCHOQIDJXAT-YYJIQYHHNA-N |
| SMILES |
[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC[C@@]1([H])C[C@H](O)CC[C@]21C)C(=O)C |&1:0,5,7,10,12,16,19,23,r| |
