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 | C33H46O2Si |
| Molecular Weight | 502.80 g/mol |
| Exact Mass | 502.3267 Da |
| InChI |
InChI=1S/C33H46O2Si/c1-7-9-22-33-23-20-25(3)30(28(34)8-2)31(33)29(21-24-33)35-36(32(4,5)6,26-16-12-10-13-17-26)27-18-14-11-15-19-27/h7-8,10-19,25,28-31,34H,1-2,9,20-24H2,3-6H3/t25-,28?,29+,30+,31+,33+/m1/s1
|
| InChIKey |
RREKVIFMDJIROY-YNVRESNOSA-N
|
| SMILES |
C=CCC[C@]12CC[C@@H](C)[C@@]([H])(C(C=C)O)[C@]2([H])[C@H](CC1)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
|
| Number of Atoms | 82 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 6 |
| XLogP | 8.5 |
