Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848232 | Gold | 1 |
COMPOUND NPA000069
PROPERTIES
| NPAID | NPA000069 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | (5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate |
| FORMULA | C21H32O6 |
| MOLECULAR WEIGHT (Da) | 380.4810 |
| ACCURATE MASS (Da) | 380.2199 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. IBWF002-96 |
| InChIKey | AKSMCYXVBDZJRK-QOGIMEQTSA-N |
| InChI | InChI=1S/C21H32O6/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/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1 |
| SMILES | CCCCCC(=O)O[C@@H]1C=C2COC(=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 |
