Melting point |
55-60° |
alpha |
D23.5 +58° in chloroform (Rao) |
Boiling point |
453.6±45.0 °C(Predicted) |
Density |
1.11±0.1 g/cm3(Predicted) |
storage temp. |
Store at -20°C |
solubility |
DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 2 mg/ml |
form |
Solid |
color |
White to Off-White |
Merck |
13,6391 |
InChI |
InChI=1/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h12,15-19H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,21-/s3 |
InChIKey |
LGRKCTFWUWAKON-XRESXOMQNA-N |
SMILES |
[C@@]12([H])CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |&1:0,4,10,14,16,26,r| |
CAS DataBase Reference |
7207-92-3(CAS DataBase Reference) |