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 | C23H36O4S2 |
| Molecular Weight | 440.66 g/mol |
| Exact Mass | 440.2055 Da |
| InChI |
InChI=1S/C23H36O4S2/c1-6-9-21(5)10-8-11-22(17(24)14-29-19(28)25-7-2)12-13-23(18(21)22)26-15-20(3,4)16-27-23/h6,18H,1,7-16H2,2-5H3/t18?,21-,22+/m1/s1
|
| InChIKey |
OBLYRVQTWZQYQI-YPFKAFGZSA-N
|
| SMILES |
C=CC[C@]1(C)CCC[C@]2(CCC3(C12)OCC(C)(C)CO3)C(=O)CSC(=S)OCC
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 5.2 |
