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 | C33H60O4Si2 |
| Molecular Weight | 577.00 g/mol |
| Exact Mass | 576.4030 Da |
| InChI |
InChI=1S/C33H60O4Si2/c1-14-39(15-2,16-3)37-33(22-35-11)18-17-25-24(6)29(36-38(12,13)31(7,8)9)19-26-30(23(4)5)28(34)21-32(26,10)20-27(25)33/h20,23-25,29H,14-19,21-22H2,1-13H3/b27-20+/t24-,25+,29+,32+,33+/m1/s1
|
| InChIKey |
MMHXWWPCYNDBLS-AIYCCQOUSA-N
|
| SMILES |
CC[Si](CC)(CC)O[C@@]\1(CC[C@@]/2([H])[C@@H](C)[C@H](CC3=C(C(C)C)C(=O)C[C@]3(C)/C=C21)O[Si](C)(C)C(C)(C)C)COC
|
| Number of Atoms | 99 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 7.5 |
