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 | C28H30O4 |
| Molecular Weight | 430.54 g/mol |
| Exact Mass | 430.2144 Da |
| InChI |
InChI=1S/C28H30O4/c1-19-13-15-24-23(18-31-27(29)21-9-5-3-6-10-21)14-16-26(20(2)17-25(19)24)32-28(30)22-11-7-4-8-12-22/h3-13,17,20,23-24,26H,14-16,18H2,1-2H3/b25-17-/t20-,23-,24-,26-/m1/s1
|
| InChIKey |
IQAUSXVIFNIYGO-XCJQDYBWSA-N
|
| SMILES |
CC\1=CC[C@]/2([H])[C@]([H])(CC[C@H]([C@H](C)/C=C12)OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
|
| Number of Atoms | 62 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 9 |
| XLogP | 5.6 |
