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 | C33H58O3Si |
| Molecular Weight | 530.90 g/mol |
| Exact Mass | 530.4155 Da |
| InChI |
InChI=1S/C33H58O3Si/c1-12-23(5)28-18-32(8)20-30(36-21-35-16-17-37(9,10)11)31(22(3)4)29(32)19-33(28,34)25(7)27-15-14-24(6)26(27)13-2/h12-13,22-24,26,28-31,34H,1-2,14-21H2,3-11H3/b27-25-/t23-,24-,26-,28+,29-,30+,31+,32-,33-/m1/s1
|
| InChIKey |
QZZOLNLRNSHCHS-WMOURWCJSA-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(=C\3/CC[C@@H](C)[C@H]3C=C)/C)O)OCOCC[Si](C)(C)C
|
| Number of Atoms | 95 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 9.3 |
