HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
10,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-(8,8'-binaphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone
NSC 264720 · xanthomegnin · Xanthomegnine · Modafinil Impurity 16 · Xanthomegnin, iNOS inhibitor · (3R,3'R)-3,3'-Dimethyl-7,7'-dimethoxy-10,10'-dihydroxy-3,3',4,4'-tetrahydro-8,8'-bi[1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone · (3R,3'R)-3,3',4,4'-Tetrahydro-10,10'-dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-8,8'-bi[1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone · [8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone, 3,3',4,4'-tetrahydro-10,10'-dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-, (3R,3'R)-
Identifikatoren & physikalische Daten
| CAS No. | 1685-91-2 |
|---|---|
| Summenformel | C30H22O12 |
| Durchschnittliche Molmasse | 574,5 g/mol |
| Monoisotopische Masse | 574,11112613 g/mol |
| SMILES | COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)OC(C)C4)C(=O)c2c(cc3c(c2O)C(=O)OC(C)C3)C1=O |
| InChIKey | WICHONPZVIYWIJ-UHFFFAOYSA-N |
| PubChem CID | 15519 |
| DTXSID | DTXSID60937500 |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 180 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 42 |
| Formalladung | 0 |
| Komplexität | 1.260 |
| Siedepunkt | 943.7±65.0 °C(Predicted) |
| Dichte | 1.63±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 5.61±0.40(Predicted) |
Sicherheit & Vorschriften
| Expositionspfade | Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101) |
|---|---|
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
Anwendungen & Verwendung
Verwenden
Xanthomegnin is a napthoquinone mycotoxin and its presence in the epidermis is used in the diagnosis of a Trichophyton rubrum infections.