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 | C59H84O5Si3 |
| Molecular Weight | 957.55 g/mol |
| Exact Mass | 956.5627 Da |
| InChI |
InChI=1S/C59H84O5Si3/c1-15-28-53-57(10,37-38-59(53)45(3)39-46(62-59)43-61-66(55(4,5)6,47-29-20-16-21-30-47)48-31-22-17-23-32-48)40-51-54(44(2)42-60)52(41-58(51,11)64-65(12,13)14)63-67(56(7,8)9,49-33-24-18-25-34-49)50-35-26-19-27-36-50/h15-27,29-36,45-46,51-54,60H,1-2,28,37-43H2,3-14H3/t45-,46+,51-,52-,53+,54+,57+,58+,59-/m0/s1
|
| InChIKey |
CUXACHAIENCHBS-WTFMNCGBSA-N
|
| SMILES |
C=CC[C@]1([H])[C@](C)(CC[C@@]21[C@@H](C)C[C@H](CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O2)C[C@@]5([H])[C@@H](C(=C)CO)[C@H](C[C@@]5(C)O[Si](C)(C)C)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
|
| Number of Atoms | 151 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 6 |
| XLogP | 12.4 |
