Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025524
PROPERTIES
| NPAID | NPA025524 |
|---|---|
| CLUSTER ID | 1213 |
| NODE ID | 1031 |
| NAME | Trivirensol B |
| FORMULA | C45H60O15 |
| MOLECULAR WEIGHT (Da) | 840.9600 |
| ACCURATE MASS (Da) | 840.3932 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | virens CMB-TN16 |
| InChIKey | YWJHSQZZKWLTCN-FEQABAOJSA-N |
| InChI | InChI=1S/C45H60O15/c1-22(2)29-8-7-25-17-56-41(51)35(25)32(29)13-26(16-46)39(49)59-20-44(54)12-10-31(24(5)6)34-15-28(19-58-43(53)37(34)44)40(50)60-21-45(55)11-9-30(23(3)4)33-14-27(38(47)48)18-57-42(52)36(33)45/h13-15,22-24,29-34,36-37,46,54-55H,7-12,16-21H2,1-6H3,(H,47,48)/b26-13+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1 |
| SMILES | CC(C)[C@H]1CCC2=C([C@@H]1/C=C(\CO)/C(=O)OC[C@@]3(CC[C@@H]([C@@H]4[C@@H]3C(=O)OCC(=C4)C(=O)OC[C@@]5(CC[C@@H]([C@@H]6[C@@H]5C(=O)OCC(=C6)C(=O)O)C(C)C)O)C(C)C)O)C(=O)OC2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiao WH; Salim AA; Khalil ZG; Dewapriya P; Lin HW; Butler MS; Capon RJ Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus Trichoderma virens CMB-TN16. Journal of Natural Products 2019 82 (11) 3165-3175. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00760 | PMID | 31625738 |
