Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855511 | Gold | 1 |
COMPOUND NPA002040
PROPERTIES
| NPAID | NPA002040 |
|---|---|
| CLUSTER ID | 1140 |
| NODE ID | 974 |
| NAME | Guanacastepene E |
| FORMULA | C22H32O5 |
| MOLECULAR WEIGHT (Da) | 376.4930 |
| ACCURATE MASS (Da) | 376.2250 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. cR115 |
| InChIKey | NGFGTILXQGWJEE-RTUSAJHPSA-N |
| InChI | InChI=1S/C22H32O5/c1-11(2)15-20(27-12(3)23)18(25)17-19-16-13(10-26-19)14(24)6-7-21(16,4)8-9-22(15,17)5/h11,14-15,17,19-20,24H,6-10H2,1-5H3/t14-,15-,17+,19-,20+,21-,22+/m0/s1 |
| SMILES | CC(C)[C@H]1[C@H](C(=O)[C@H]2[C@@]1(CC[C@@]3(CC[C@@H](C4=C3[C@@H]2OC4)O)C)C)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 | Miller AK; Hughes CC; Kennedy-Smith JJ; Gradl SN; Trauner D Total synthesis of (-)-heptemerone B and (-)-guanacastepene E. Journal of the American Chemical Society 2006 128 (51) 17057-17062. DOI: 10.1021/ja0660507 PMID: 17177458 | ||
|---|---|---|---|
