Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005404
PROPERTIES
| NPAID | NPA005404 |
|---|---|
| CLUSTER ID | 2662 |
| NODE ID | 85 |
| NAME | Pleurocybellone A |
| FORMULA | C23H32O6 |
| MOLECULAR WEIGHT (Da) | 404.5030 |
| ACCURATE MASS (Da) | 404.2199 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xeromphalina |
| ORIGIN SPECIES | sp. |
| InChIKey | CEFZWNWVYVDLRV-QMPPHBRLSA-N |
| InChI | InChI=1S/C23H32O6/c1-5-6-7-8-9-15(24)21(28)29-20-16-13(12-22(20,2)3)10-11-14-17(25)18(26)19(27)23(14,16)4/h10-11,13,15-16,20,24-25H,5-9,12H2,1-4H3/t13-,15?,16-,20+,23+/m0/s1 |
| SMILES | CCCCCCC(C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)C=CC3=C(C(=O)C(=O)[C@@]23C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liermann, Johannes C.; Schueffler, Anja; Wollinsky, Beate; Birnbacher, Judith; Kolshorn, Heinz; Anke, Timm; Opatz, Till Hirsutane-type sesquiterpenes with uncommon modifications from three basidiomycetes Journal of Organic Chemistry 2010 75 (9) 2955-2961. | ||
|---|---|---|---|
| DOI | 10.1021/jo100202b | PMID | 20345148 |
