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 | C15H22O5 |
| Molecular Weight | 282.33 g/mol |
| Exact Mass | 282.1467 Da |
| InChI |
InChI=1S/C15H22O5/c1-9(2)13-4-3-10(8-16)5-11(13)6-12(15(19)20)7-14(17)18/h5-6,9,11,13,16H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,20)/b12-6+
|
| InChIKey |
ZEHFJYNPGKOAAZ-WUXMJOGZSA-N
|
| SMILES |
CC(C)C1CCC(=CC1/C=C(\CC(=O)O)/C(=O)O)CO
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 5 |
| XLogP | 1.8 |