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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

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Chemical structure C<sub>15</sub>H<sub>22</sub>O<sub>6</sub>

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Figure 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₂₂O₆
Molecular Weight	298.33 g/mol
Exact Mass	298.1416 Da
InChI	InChI=1S/C15H22O6/c1-8(2)10-3-4-15(20)7-21-14(19)12(15)11(10)5-9(6-16)13(17)18/h5,8,10-12,16,20H,3-4,6-7H2,1-2H3,(H,17,18)/b9-5+/t10-,11-,12-,15-/m1/s1
InChIKey	WGNDRSIKIXVFLD-HXYHFMIISA-N
SMILES	CC(C)[C@H]1CC[C@]2(COC(=O)[C@H]2[C@@H]1/C=C(\CO)/C(=O)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	0.9

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