Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016055
PROPERTIES
| NPAID | NPA016055 |
|---|---|
| CLUSTER ID | 92 |
| NODE ID | 87 |
| NAME | Epothilone F |
| FORMULA | C27H41NO7S |
| MOLECULAR WEIGHT (Da) | 523.6920 |
| ACCURATE MASS (Da) | 523.2604 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum |
| InChIKey | UKIMCRYGLFQEOE-RGJAOAFDSA-N |
| InChI | InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1 |
| SMILES | C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CO)/C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hardt; Steinmetz; Gerth; Sasse; Reichenbach; Hoefle New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: Isolation, structure elucidation, and SAR studies Journal of Natural Products 2001 64 (7) 847-856. | ||
|---|---|---|---|
| DOI | 10.1021/np000629f | PMID | 11473410 |
SYNTHESES
| CITATION 1 | Nicolaou KC; Hepworth D; King NP; Finlay MR; Scarpelli R; Pereira MM; Bollbuck B; Bigot A; Werschkun B; Winssinger N Total synthesis of 16-desmethylepothilone B, epothilone B10, epothilone F, and related side chain modified epothilone B analogues. Chemistry - A European Journal 2000 6 (15) 2783-2800. DOI: 10.1002/1521-3765(20000804)6:15<2783::aid-chem2783>3.0.co;2-b PMID: 10985727 | ||
|---|---|---|---|
