Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020452
PROPERTIES
| NPAID | NPA020452 |
|---|---|
| CLUSTER ID | 1791 |
| NODE ID | 191 |
| NAME | Guanacastepene N |
| FORMULA | C22H28O6 |
| MOLECULAR WEIGHT (Da) | 388.4600 |
| ACCURATE MASS (Da) | 388.1886 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. cR115 |
| InChIKey | QCQNZSFRYFQBAE-WTBATMJQSA-N |
| InChI | InChI=1S/C22H28O6/c1-10(2)14-19(27-11(3)23)17(25)16-18-15-13(20(26)28-18)12(24)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,19,24H,6-9H2,1-5H3/t12-,14-,19+,21-,22+/m0/s1 |
| SMILES | CC(C)[C@H]1[C@H](C(=O)C2=C3C4=C([C@H](CC[C@]4(CC[C@]12C)C)O)C(=O)O3)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brady, Sean F.; Bondi, Shana M.; Clardy, Jon The Guanacastepenes: A Highly Diverse Family of Secondary Metabolites Produced by an Endophytic Fungus Journal of the American Chemical Society 2001 123 (40) 9900-9901. | ||
|---|---|---|---|
| DOI | 10.1021/ja016176y | PMID | 11583556 |
SYNTHESES
| CITATION 1 | Iimura S; Overman LE; Paulini R; Zakarian A Enantioselective total synthesis of guanacastepene N using an uncommon 7-endo Heck cyclization as a pivotal step. Journal of the American Chemical Society 2006 128 (40) 13095-101. DOI: 10.1021/ja0650504 PMID: 17017789 | ||
|---|---|---|---|
