PRODUCT Properties
Melting point: | 130-131 °C |
Boiling point: | 441.8±45.0 °C(Predicted) |
Density | 1.12±0.1 g/cm3(Predicted) |
InChI | InChI=1/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/s3 |
InChIKey | XWFWMYFLNHTEBF-SSLHSUNYNA-N |
SMILES | C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)OC)C |&1:1,4,6,15,17,21,r| |