Sesquiterpenes from the soil-derived fungus Trichoderma citrinoviride PSU-SPSF346
Wiriya Yaosanit, Vatcharin Rukachaisirikul, Souwalak Phongpaichit, Sita Preedanon and Jariya Sakayaroj
Beilstein J. Org. Chem. 2022, 18, 479–485.
https://doi.org/10.3762/bjoc.18.50
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C17H26O5 |
| Molecular Weight | 310.39 g/mol |
| Exact Mass | 310.1780 Da |
| InChI |
InChI=1S/C17H26O5/c1-5-9(2)8-10(3)6-7-12-14(18)15(19)13-16(22-12)11(4)21-17(13)20/h6-7,9-12,14-15,18-19H,5,8H2,1-4H3/b7-6-/t9?,10?,11-,12-,14-,15-/m1/s1
|
| InChIKey |
ZDQYHGQAFAMSQQ-XUITYVNYSA-N
|
| SMILES |
CCC(C)CC(C)/C=C\[C@@H]1[C@H]([C@@H](C2=C([C@@H](C)OC2=O)O1)O)O
|
| Number of Atoms | 48 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 6 |
| XLogP | 4.0 |
