Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3alpha,5beta)-
Grundinformationen
- CAS
10452-65-0- Standard-SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
IOBLILNCUSICGD-SNNBGYMSSA-N- Summenformel
- C27H42O5
- Durchschnittliche Molmasse
- 446,6 g/mol
- Monoisotopische Masse
- 446,30322444
Namen und Bezeichner
- Bevorzugter Name
- Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3alpha,5beta)-
- IUPAC
- methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
- Englischer Name
- 3α-Acetyloxy-7-oxo-5β-cholan-24-oic acid methyl ester
- Summenformel
- C27H42O5
- Molmasse
- 446.63
Namen und Synonyme
10452-65-03alpha-Acetyloxy-7-oxo-5beta-cholan-24-oic acid methyl esterCholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3alpha,5beta)-methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoateMethyl (3?,5?)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid EsterSCHEMBL9192413Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3.alpha.,5.beta.)-Methyl 3-(acetyloxy)-7-oxocholan-24-oate #Methyl 3alpha-acetoxy-7-keto-5beta-cholanoateMethyl (3|A,5|A)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester3α-Acetyloxy-7-oxo-5β-cholan-24-oic acid methyl esterMethyl (3α,5β)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester
Weitere Namen anzeigen
Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3α,5β)-Methyl (3alpha,5beta)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid EsterObeticholic Acid Impurity 16 Cholan-?24-?oic acid, 3-?(acetyloxy)?-?7-?oxo-?, methyl ester, (3α,?5β)?-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 69,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 761
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-148 °C
- Siedepunkt
- 516.8 · 516.8±25.0 °C(Predicted)
- Dichte
- 1.1 · 1.10±0.1 g/cm3(Predicted)
Chemie und Industrie
Anwendungen
VerwendenMethyl (3α,5β)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester is an intermediate used in the synthesis of ω-Muricholic Acid (M732760), which is used in the regulation of weight gain and lipid metabolism by bacterial bile acid modification in gut for the control of obesity and hypercholesterolemia.
Vor- und nachgelagerte Produkte
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Anbieter5 Anbieter
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
上海朗旭生物科技有限公司+86-021-50800795 13816874662 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
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