Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030150
PROPERTIES
| NPAID | NPA030150 |
|---|---|
| CLUSTER ID | 2630 |
| NODE ID | 973 |
| NAME | (–)-pestalachloride F |
| FORMULA | C21H20Cl2O5 |
| MOLECULAR WEIGHT (Da) | 423.2920 |
| ACCURATE MASS (Da) | 422.0688 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | sp. ZJ-2009-7-6 |
| InChIKey | DBCXEFKSOPPSEW-QFYYESIMSA-N |
| InChI | InChI=1S/C21H20Cl2O5/c1-8(2)10-5-11-13(25)6-14(26)12(7-24)15(11)16(10)17-20(27)18(22)9(3)19(23)21(17)28-4/h6-7,10,16,25-27H,1,5H2,2-4H3/t10-,16-/m0/s1 |
| SMILES | C=C(C)[C@@H]1CC2=C(C(C=O)=C(O)C=C2O)[C@H]1C1=C(O)C(Cl)=C(C)C(Cl)=C1OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xing Q; Gan L; Mou X; Wang W; Wang C; Wei M; Shao C Isolation, resolution and biological evaluation of pestalachlorides E and F containing both point and axial chirality RSC Advances 2016 6 (27) 22653-22658. | ||
|---|---|---|---|
| DOI | 10.1039/c6ra00374e | PMID | - |
