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 | C33H58O4Si |
| Molecular Weight | 546.90 g/mol |
| Exact Mass | 546.4105 Da |
| InChI |
InChI=1S/C33H58O4Si/c1-12-23(5)26-18-30(7)20-28(36-21-35-16-17-38(9,10)11)29(22(3)4)27(30)19-32(26,34)31(8)33(37-31)15-14-24(6)25(33)13-2/h12-13,22-29,34H,1-2,14-21H2,3-11H3/t23-,24-,25-,26+,27-,28+,29+,30-,31+,32+,33-/m1/s1
|
| InChIKey |
IKYJSHCXCSCXKO-GYXQOGLPSA-N
|
| SMILES |
C=C[C@@H](C)[C@]1([H])C[C@]2(C)C[C@@H]([C@@H](C(C)C)[C@@]2([H])C[C@]1([C@@]3(C)[C@]4(CC[C@@H](C)[C@H]4C=C)O3)O)OCOCC[Si](C)(C)C
|
| Number of Atoms | 96 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 1 |
| XLogP | 8.9 |
