Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017226
PROPERTIES
| NPAID | NPA017226 |
|---|---|
| CLUSTER ID | 5818 |
| NODE ID | 191 |
| NAME | Guanacastepene C |
| FORMULA | C20H30O4 |
| MOLECULAR WEIGHT (Da) | 334.4560 |
| ACCURATE MASS (Da) | 334.2144 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. cR115 |
| InChIKey | RVRMCOSMMOFDAU-LPBINRMYSA-N |
| InChI | InChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,15-16,18,21-22,24H,5-8,10H2,1-4H3/t15-,16-,18-,19-,20-/m0/s1 |
| SMILES | CC(C)[C@H]1[C@@H](C(=O)C2=CC3=C([C@H](CC[C@]3(CC[C@]12C)C)O)CO)O |
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 | Mehta G; Pallavi K; Umarye JD A total synthesis of guanacastepene C. Chemical Communications 2005 (35) 4456-8. DOI: 10.1039/b506931a PMID: 16136249 | ||
|---|---|---|---|
