Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685461 | Bronze | (1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl)&hexanoate |
| CCMSLIB00004685462 | Bronze | (1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl)&hexanoate |
| CCMSLIB00004685463 | Bronze | (1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl)&hexanoate |
| CCMSLIB00004685460 | Bronze | (1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl)&hexanoate |
| CCMSLIB00000847252 | Gold | 1!CCMSLIB00000847254 |
| CCMSLIB00005722064 | Gold | 3 |
| CCMSLIB00005721543 | Gold | 3 |
| CCMSLIB00005722063 | Gold | 3 |
COMPOUND NPA016074
PROPERTIES
| NPAID | NPA016074 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | (1R,5R,5aS,9R,9aR,9bR)-1,9,9b-trihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate |
| FORMULA | C21H34O6 |
| MOLECULAR WEIGHT (Da) | 382.4970 |
| ACCURATE MASS (Da) | 382.2355 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. IBWF002-96 |
| InChIKey | GFMGOVRWOOAPMN-HSXGCCRNSA-N |
| InChI | InChI=1S/C21H34O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17-18,22,24-25H,5-10,12H2,1-4H3/t14-,15-,17+,18-,20+,21+/m1/s1 |
| SMILES | CCCCCC(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Felix, Silke; Sandjo, Louis P.; Opatz, Till; Erkel, Gerhard Anti-inflammatory drimane sesquiterpene lactones from an Aspergillus species Bioorganic and Medicinal Chemistry 2014 22 (11) 2912-2918. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2014.04.015 | PMID | 24792812 |
