Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015213
PROPERTIES
| NPAID | NPA015213 |
|---|---|
| CLUSTER ID | 5334 |
| NODE ID | 973 |
| NAME | Pestalachloride A |
| FORMULA | C21H21Cl2NO5 |
| MOLECULAR WEIGHT (Da) | 438.3070 |
| ACCURATE MASS (Da) | 437.0797 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | adusta |
| InChIKey | IFONQCDBHMGEFN-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H21Cl2NO5/c1-8(2)5-6-10-11(25)7-12(26)14-13(10)18(24-21(14)28)15-19(27)16(22)9(3)17(23)20(15)29-4/h5,7,18,25-27H,6H2,1-4H3,(H,24,28) |
| SMILES | CC1=C(C(=C(C(=C1Cl)OC)C2C3=C(C(=CC(=C3CC=C(C)C)O)O)C(=O)N2)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Erwei; Jiang, Lihua; Guo, Liangdong; Zhang, Hua; Che, Yongsheng Pestalachlorides A-C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta Bioorganic and Medicinal Chemistry 2008 16 (17) 7894-7899. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2008.07.075 | PMID | 18694644 |
SYNTHESES
| CITATION 1 | Slavov N; Cvengroš J; Neudörfl JM; Schmalz HG Total synthesis of the marine antibiotic pestalone and its surprisingly facile conversion into pestalalactone and pestalachloride A. Angewandte Chemie International Edition 2010 49 (41) 7588-7591. DOI: 10.1002/anie.201003755 PMID: 21038453 | ||
|---|---|---|---|
