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Wilfortrine
Wilfortrin · 8α-Acetoxy-2-O-deacetyl-8-deoxo-2-O-(3-furanylcarbonyl)-26-hydroxyevonimine · 3-Furancarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,18R,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-18,21-dihydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin... · 3-Furancarboxylic acid,(8R,9R,10R,11S,12R,13R,14R,15S,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-18,21-dihydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin-14-ylester
Identifikatoren & physikalische Daten
| CAS No. | 37239-48-8 |
|---|---|
| Summenformel | C41H47NO20 |
| Durchschnittliche Molmasse | 873,814 g/mol |
| Monoisotopische Masse | 873,2691429 g/mol |
| SMILES | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)C4(C)O |
| InChIKey | JOKOHWLSQAZHFX-FYBNDBPCSA-N |
| PubChem CID | 73321 |
| DTXSID | DTXSID601045704 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 237.5-238.0℃ |
|---|---|
| Siedepunkt | 884.4±65.0 °C(Predicted) |
| Dichte | 1.46±0.1 g/cm3(Predicted) |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 11.52±0.70(Predicted) |
| Farbe | White to off-white |