HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tetra-O-methyl nordihydroguaiaretic acid
FW 358.2 · meso-1,4-Bis(3,4-dimethoxyphenyl)dimethylbutane · 1,1'-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxybenzene) · 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(1,2-dimethoxybenzene) · Benzene, 4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxy- · 1,1-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxy benzene)(Nordihydroguaiaretic acid Intermediate)
Identifikatoren & physikalische Daten
| CAS No. | 5701-82-6 |
|---|---|
| Summenformel | C22H30O4 |
| Durchschnittliche Molmasse | 358,5 g/mol |
| Monoisotopische Masse | 358,21440943 g/mol |
| SMILES | COc1ccc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)cc1OC |
| InChIKey | ORQFDHFZSMXRLM-UHFFFAOYSA-N |
| PubChem CID | 97616 |
| ChEMBL | CHEMBL492149 |
| DTXSID | DTXSID10972502 |
Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 352 |
| Schmelzpunkt | 101-102 °C |
| Siedepunkt | 458.5±40.0 °C(Predicted) |
| Dichte | 1.036±0.06 g/cm3(Predicted) |
| InChI | InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3 |
| InChIKey | ORQFDHFZSMXRLM-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC=C(CC(C)C(C)CC2=CC=C(OC)C(OC)=C2)C=C1OC |
Anwendungen & Verwendung
Verwenden
Terameprocol is a semi-synthetic lignan which inhibits the transcription of several inflammatory and oncogenic genes.