| Melting point |
225° |
| alpha |
D22 +95° (c = 0.81 in CHCl3) |
| Boiling point |
503.4±50.0 °C(Predicted) |
| Density |
1.21±0.1 g/cm3(Predicted) |
| storage temp. |
Refrigerator |
| solubility |
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated) |
| form |
Solid |
| pka |
12.50±0.70(Predicted) |
| color |
White to Off-White |
| InChI |
InChI=1/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/s3 |
| InChIKey |
CXDWHYOBSJTRJU-RBGHNXGKNA-N |
| SMILES |
[C@]12(C)CC[C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)C |&1:0,4,6,16,18,21,23,r| |
| LogP |
2.863 |
| CAS DataBase Reference |
595-77-7(CAS DataBase Reference) |
