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 | C16H26O7 |
| Molecular Weight | 330.37 g/mol |
| Exact Mass | 330.1678 Da |
| InChI |
InChI=1S/C16H26O7/c1-9(2)11-4-5-16(22,8-23-3)13(15(20)21)12(11)6-10(7-17)14(18)19/h6,9,11-13,17,22H,4-5,7-8H2,1-3H3,(H,18,19)(H,20,21)/b10-6+/t11-,12-,13-,16-/m1/s1
|
| InChIKey |
XQFNJUGBCKSQRI-WDZSVEBTSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@@](COC)([C@H]([C@@H]1/C=C(\CO)/C(=O)O)C(=O)O)O
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 4 |
| Atoms in the Largest π-System | 5 |
| XLogP | 1.0 |
