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 | C35H50O5Si |
| Molecular Weight | 578.86 g/mol |
| Exact Mass | 578.3428 Da |
| InChI |
InChI=1S/C35H50O5Si/c1-26-23-27(40-35(26)21-20-34(8,25-36)30(35)19-22-38-31(37)32(2,3)4)24-39-41(33(5,6)7,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18,25-27,30H,19-24H2,1-8H3/t26-,27+,30+,34+,35-/m0/s1
|
| InChIKey |
HKQQRQRXCVDCFL-MYQJQZSQSA-N
|
| SMILES |
C[C@H]1C[C@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[C@]41CC[C@](C)(C=O)[C@@]4([H])CCOC(=O)C(C)(C)C
|
| Number of Atoms | 91 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 6.1 |
