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 | C27H46O3Si |
| Molecular Weight | 446.74 g/mol |
| Exact Mass | 446.3216 Da |
| InChI |
InChI=1S/C27H46O3Si/c1-17(2)20-13-14-27(7)22(20)15-23(30-31(9,10)26(4,5)6)18(3)21-12-11-19(16-29-8)24(21)25(27)28/h17-18,21,23H,11-16H2,1-10H3/t18-,21+,23+,27+/m1/s1
|
| InChIKey |
CPRJAHKJHXTLOI-IHOQNPOQSA-N
|
| SMILES |
CC(C)C1=C2C[C@@H]([C@H](C)[C@]3([H])CCC(=C3C(=O)[C@@]2(C)CC1)COC)O[Si](C)(C)C(C)(C)C
|
| Number of Atoms | 77 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 5.5 |
