Heterologous biosynthesis of cotylenol and concise synthesis of fusicoccane diterpenoids
Ye Yuan, Zhenhua Guan, Xue-Jie Zhang, Nanyu Yao, Wenling Yuan, Yonghui Zhang, Ying Ye and Zheng Xiang
Beilstein J. Org. Chem. 2025, 21, 1489–1495.
https://doi.org/10.3762/bjoc.21.111
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.48 g/mol |
| Exact Mass | 364.2250 Da |
| InChI |
InChI=1S/C21H32O5/c1-11(2)17-14-8-16(22)12(3)13-6-7-21(25,10-26-5)15(13)9-20(14,4)19(24)18(17)23/h9,11-13,16,19,22,24-25H,6-8,10H2,1-5H3/b15-9+/t12-,13+,16+,19-,20-,21+/m1/s1
|
| InChIKey |
XZWYSCRACMMLEU-JNUUQYDWSA-N
|
| SMILES |
CC(C)C1=C2C[C@@H]([C@H](C)[C@]/3([H])CC[C@](COC)(\C3=C\[C@@]2(C)[C@@H](C1=O)O)O)O
|
| Number of Atoms | 58 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 4 |
| XLogP | 0.5 |
