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 | C15H24O7 |
| Molecular Weight | 316.35 g/mol |
| Exact Mass | 316.1522 Da |
| InChI |
InChI=1S/C15H24O7/c1-8(2)10-3-4-15(22,7-17)12(14(20)21)11(10)5-9(6-16)13(18)19/h5,8,10-12,16-17,22H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,21)/b9-5+/t10-,11-,12-,15-/m1/s1
|
| InChIKey |
NRDICXOYYADWFU-HXYHFMIISA-N
|
| SMILES |
CC(C)[C@H]1CC[C@@](CO)([C@H]([C@@H]1/C=C(\CO)/C(=O)O)C(=O)O)O
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 5 |
| Atoms in the Largest π-System | 5 |
| XLogP | 0.5 |
