Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014005
PROPERTIES
| NPAID | NPA014005 |
|---|---|
| CLUSTER ID | 22 |
| NODE ID | 21 |
| NAME | Xestodecalactone A |
| FORMULA | C14H16O5 |
| MOLECULAR WEIGHT (Da) | 264.2770 |
| ACCURATE MASS (Da) | 264.0998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | cf. montanense |
| InChIKey | AQNZLWYQYFPMBX-MRVPVSSYSA-N |
| InChI | InChI=1S/C14H16O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h5,7-8,15,17H,2-4,6H2,1H3/t8-/m1/s1 |
| SMILES | C[C@@H]1CCCC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Edrada, Ru Angelie; Heubes, Markus; Brauers, Gernot; Wray, Victor; Berg, Albrecht; Grafe, Udo; Wohlfarth, Michael; Muhlbacher, Jorg; Schaumann, Karsten; Sudarsono, Sudarsono; Bringmann, Gerhard; Proksch, Peter Online analysis of xestodecalactones A-C, novel bioactive metabolites from the fungus Penicillium cf. montanense and their subsequent isolation from the sponge Xestospongia exigua Journal of Natural Products 2002 65 (11) 1598-1604. | ||
|---|---|---|---|
| DOI | 10.1021/np020085c | PMID | 12444683 |
SYNTHESES
| CITATION 1 | Yoshino T; Ng F; Danishefsky SJ A total synthesis of xestodecalactone a and proof of its absolute stereochemistry: interesting observations on dienophilic control with 1,3-disubstituted nonequivalent allenes. Journal of the American Chemical Society 2006 128 (43) 14185-91. DOI: 10.1021/ja064270e PMID: 17061903 | ||
|---|---|---|---|
