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 | C30H42O6Si |
| Molecular Weight | 526.74 g/mol |
| Exact Mass | 526.2751 Da |
| InChI |
InChI=1S/C30H42O6Si/c1-6-37(7-2,8-3)36-29-21-28-18-12-13-19-30(32,35-28)25(33-20-22-14-10-9-11-15-22)23(28)16-17-24(29)27(4,5)34-26(29)31/h9-11,13-16,19,24-25,32H,6-8,12,17-18,20-21H2,1-5H3/t24-,25-,28-,29+,30-/m0/s1
|
| InChIKey |
NJBOZVVIEFVBOP-GXYTUBKQSA-N
|
| SMILES |
CC[Si](CC)(CC)O[C@@]12C[C@@]34CCC=C[C@]([C@H](C3=CC[C@@]2([H])C(C)(C)OC1=O)OCC5=CC=CC=C5)(O)O4
|
| Number of Atoms | 79 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 6 |
| XLogP | 4.1 |
