Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series
Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée
Beilstein J. Org. Chem. 2023, 19, 245–281.
https://doi.org/10.3762/bjoc.19.23
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C26H35BrO3 |
| Molecular Weight | 475.46 g/mol |
| Exact Mass | 474.1770 Da |
| InChI |
InChI=1S/C26H35BrO3/c1-19(2)24-14-15-26(4,16-23(29)12-10-20(3)28)25(24)13-11-22(27)18-30-17-21-8-6-5-7-9-21/h5-12,19,24-25H,13-18H2,1-4H3/b12-10+,22-11-/t24-,25+,26-/m1/s1
|
| InChIKey |
CHGRXJHWPLOUIM-LRHSXLPVSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@](C)(CC(=O)/C=C/C(=O)C)[C@@]1([H])C/C=C(/COCC2=CC=CC=C2)\Br
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 6.4 |
