Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013853
PROPERTIES
| NPAID | NPA013853 |
|---|---|
| CLUSTER ID | 643 |
| NODE ID | 571 |
| NAME | Equisetin |
| FORMULA | C22H31NO4 |
| MOLECULAR WEIGHT (Da) | 373.4930 |
| ACCURATE MASS (Da) | 373.2253 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | equiseti |
| InChIKey | QNQBPPQLRODXET-AIMHRHHOSA-N |
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1 |
| SMILES | C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)/C(=C\3/C(=O)[C@@H](N(C3=O)C)CO)/O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Phillips; Goodwin; Faiman; Cole; Lynn Characterization of the Fusarium toxin equisetin: The use of phenylboronates in structure assignment Journal of the American Chemical Society 1989 111 (21) 8223-8231. | ||
|---|---|---|---|
| DOI | 10.1021/ja00203a025 | PMID | - |
SYNTHESES
| CITATION 1 | Burke LT; Dixon DJ; Ley SV; Rodríguez F Total synthesis of the Fusarium toxin equisetin. Organic & Biomolecular Chemistry 2005 3 (2) 274-280. DOI: 10.1039/b411350k PMID: 15632969 | ||
|---|---|---|---|
| CITATION 2 | Yin J; Kong L; Wang C; Shi Y; Cai S; Gao S Biomimetic synthesis of equisetin and (+)-fusarisetin A. Chemistry - A European Journal 2013 19 (39) 13040-13046. DOI: 10.1002/chem.201302163 PMID: 24038394 | ||
| CITATION 3 | Burke LT; Dixon DJ; Ley SV; Rodríguez F A short stereoselective total synthesis of the fusarium toxin equisetin. Organic Letters 2000 2 (23) 3611-3613. DOI: 10.1021/ol006493u PMID: 11073657 | ||
