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 | C29H34O10 |
| Molecular Weight | 542.58 g/mol |
| Exact Mass | 542.2152 Da |
| InChI |
InChI=1S/C29H34O10/c1-12-17-19-18(13(2)23(33)35-19)37-29-20(17)25(5,21(12)31)8-9-26(39-29)11-27-15(7-6-14(26)22(29)32)24(3,4)38-28(27,34)10-16(30)36-27/h6,12-13,15,17-20,34H,7-11H2,1-5H3/t12-,13-,15-,17+,18+,19+,20-,25-,26-,27+,28+,29-/m0/s1
|
| InChIKey |
ZYMRAMDEHXCKFQ-NESYRFAASA-N
|
| SMILES |
C[C@H]1[C@]2([H])[C@]3([H])[C@@]([H])([C@H](C)C(=O)O3)O[C@]45[C@]2([H])[C@](C)(CC[C@@]6(C[C@]78[C@@]([H])(CC=C6C4=O)C(C)(C)O[C@@]8(CC(=O)O7)O)O5)C1=O
|
| Number of Atoms | 73 |
| Number of H-Bond Acceptors | 10 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 4 |
| XLogP | -0.2 |
