HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Alpinumisoflavone
alpinumisoflavone · Alpinumisoflavone cas 34086-50-5 · 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one · 5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one · 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 34086-50-5 |
|---|---|
| Summenformel | C20H16O5 |
| Durchschnittliche Molmasse | 336,343 g/mol |
| Monoisotopische Masse | 336,09977361 g/mol |
| SMILES | CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 |
| InChIKey | RQAMSFTXEFSBPK-UHFFFAOYSA-N |
| PubChem CID | 5490139 |
| ChEMBL | CHEMBL238628 |
| ChEBI | CHEBI:69746 |
| DTXSID | DTXSID00187683 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 213 °C(Solv: acetonitrile (75-05-8)) |
|---|---|
| Siedepunkt | 562.1±50.0 °C(Predicted) |
| Dichte | 1.368±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 6.28±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white to light yellow |
| InChI | InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3 |
| InChIKey | RQAMSFTXEFSBPK-UHFFFAOYSA-N |
| SMILES | C12=CC3OC=C(C4=CC=C(O)C=C4)C(=O)C=3C(O)=C1C=CC(C)(C)O2 |