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 | C37H60O5Si |
| Molecular Weight | 612.96 g/mol |
| Exact Mass | 612.4210 Da |
| InChI |
InChI=1S/C37H60O5Si/c1-11-15-32-35(7,18-19-37(32)27(3)20-29(42-37)25-41-43(9,10)34(4,5)6)21-30-33(26(2)23-38)31(22-36(30,8)39)40-24-28-16-13-12-14-17-28/h11-14,16-17,27,29-33,38-39H,1-2,15,18-25H2,3-10H3/t27-,29+,30-,31-,32+,33+,35+,36+,37-/m0/s1
|
| InChIKey |
QMJGNLNIIFKXFX-FKUPHSLLSA-N
|
| SMILES |
C=CC[C@]1([H])[C@](C)(CC[C@@]21[C@@H](C)C[C@H](CO[Si](C)(C)C(C)(C)C)O2)C[C@@]3([H])[C@@H](C(=C)CO)[C@H](C[C@@]3(C)O)OCC4=CC=CC=C4
|
| Number of Atoms | 103 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 6 |
| XLogP | 7.0 |
