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 | C15H22O6 |
| Molecular Weight | 298.33 g/mol |
| Exact Mass | 298.1416 Da |
| InChI |
InChI=1S/C15H22O6/c1-7(2)9-4-5-15(6-16)11(14(19)20)10(9)12(21-15)8(3)13(17)18/h7,9-12,16H,3-6H2,1-2H3,(H,17,18)(H,19,20)/t9-,10-,11-,12+,15-/m1/s1
|
| InChIKey |
WIBCKXZXKKPKFW-XRHZXQNYSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@@]2(CO)[C@H]([C@]1([H])[C@H](C(=C)C(=O)O)O2)C(=O)O
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 5 |
| XLogP | 1.2 |