(R)-Methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Grundinformationen
- CAS
71781-46-9- Standard-SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
XFDOVQPSOPEMRW-PTUOMBSASA-N- Summenformel
- C31H56O4Si
- Durchschnittliche Molmasse
- 520,9 g/mol
- Monoisotopische Masse
- 520,3947868
Namen und Bezeichner
- Bevorzugter Name
- (R)-Methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- IUPAC
- methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
- Englischer Name
- (R)-methyl 4-((3R,7R,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- Summenformel
- C31H56O4Si
- Molmasse
- 520.86
Namen und Synonyme
71781-46-9(R)-Methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateMFCD31536278SY486383(R)-Methyl4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoatemethyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateMethyl (R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[(tert-Butyldimethylsilyl)oxy]-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateMethyl 3-O-tert-butyldimethylsilyl-chenodeoxycholateCholan-24-oic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-hydroxy-, methyl ester, (3α,5β,7α)-
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 805
Physikochemische Eigenschaften
- Schmelzpunkt
- 190 · 190-193 °C(Solvent: Methanol)
- Siedepunkt
- 540.3 · 540.3±25.0 °C(Predicted)
- Dichte
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.70(Predicted)
Chemie und Industrie
Anbieter4 Anbieter
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
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