Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685171 | Bronze | ascochlorin |
| CCMSLIB00004685172 | Bronze | ascochlorin |
| CCMSLIB00004685173 | Bronze | ascochlorin |
| CCMSLIB00004685174 | Bronze | ascochlorin |
| CCMSLIB00005467635 | Gold | 3!CCMSLIB00000845563 |
COMPOUND NPA021230
PROPERTIES
| NPAID | NPA021230 |
|---|---|
| CLUSTER ID | 1134 |
| NODE ID | 969 |
| NAME | Ascochlorin |
| FORMULA | C23H29ClO4 |
| MOLECULAR WEIGHT (Da) | 404.9340 |
| ACCURATE MASS (Da) | 404.1754 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ascochyta |
| ORIGIN SPECIES | viciae |
| InChIKey | SETVRSKZJJWOPA-FLDGXQSCSA-N |
| InChI | InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1 |
| SMILES | C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tamura G; Suzuki S; Takatsuki A; Ando K; Arima K Ascochlorin, a new antibiotic, found by the paper-disc agar-diffusion method. I. Isolation, biological and chemical properties of ascochlorin. (Studies on antiviral and antitumor antibiotics. I). Journal of Antibiotics 1968 21 (9) 539-544. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.21.539 | PMID | 4304615 |
SYNTHESES
| CITATION 1 | Dudley GB; Takaki KS; Cha DD; Danheiser RL Total synthesis of (-)-ascochlorin via a cyclobutenone-based benzannulation strategy. Organic Letters 2000 2 (21) 3407-10. DOI: 10.1021/ol006561c PMID: 11029223 | ||
|---|---|---|---|
