Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025527
PROPERTIES
| NPAID | NPA025527 |
|---|---|
| CLUSTER ID | 1213 |
| NODE ID | 1031 |
| NAME | Trivirensol E |
| FORMULA | C44H62O14 |
| MOLECULAR WEIGHT (Da) | 814.9660 |
| ACCURATE MASS (Da) | 814.4140 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | virens CMB-TN16 |
| InChIKey | CJKDKUQKMACLGX-FACKWFBASA-N |
| InChI | InChI=1S/C44H62O14/c1-23(2)31-8-7-26(17-45)13-27(31)14-29(19-47)39(50)56-21-43(54)11-9-32(24(3)4)34-16-30(20-55-41(52)36(34)43)40(51)58-44-12-10-33(25(5)6)35(15-28(18-46)38(48)49)37(44)42(53)57-22-44/h13-16,23-25,27,31-37,45-47,54H,7-12,17-22H2,1-6H3,(H,48,49)/b28-15+,29-14+/t27-,31-,32-,33-,34-,35-,36-,37-,43-,44-/m1/s1 |
| SMILES | CC(C)[C@H]1CCC(=C[C@@H]1/C=C(\CO)/C(=O)OC[C@@]2(CC[C@@H]([C@@H]3[C@@H]2C(=O)OCC(=C3)C(=O)O[C@@]45CC[C@@H]([C@H]([C@@H]4C(=O)OC5)/C=C(\CO)/C(=O)O)C(C)C)C(C)C)O)CO |
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 |
