5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate
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Grundinformationen
- CAS
4472-02-0- Standard-SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C- InChIKey
XRLBQELEYBVDHJ-QHWYEGTESA-N- Summenformel
- C27H40O5
- Durchschnittliche Molmasse
- 444,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate
- IUPAC
- methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
- Englischer Name
- 3α-Acetyloxy-12-oxo-5β-chol-9(11)-en-24-oic acid methyl ester
- Summenformel
- C27H40O5
- Molmasse
- 444.6
Namen und Synonyme
4472-02-05beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetatemethyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate(R)-Methyl 4-((3R,5R,8S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateNSC45878Deoxycholic Acid Impurity 77SCHEMBL330065NSC-458785.beta.-Chol-9(11)-en-24-oic acid, 3.alpha.-hydroxy-12-oxo-, methyl ester, acetateChol-9(11)-en-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)-CS-0080122Methyl 3-(acetyloxy)-12-oxochol-9(11)-en-24-oate #
Weitere Namen anzeigen
methyl 3α-acetoxy-12-oxo-5β-chol-9(11)-en-24-oateMethyl 3a-acetoxy-12-oxo-5b-chol-9(11)-en-24-oate3α-Acetyloxy-12-oxo-5β-chol-9(11)-en-24-oic acid methyl ester3α-Acetyloxy-12-oxo-5β-chol-9(11)-en-24-oic acid methyl esterChol-9(11)-en-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3α,5β)-4-(3-ACO-DI-ME-OXO-14H-CYCLOPENTA(A)PHENANTHREN-17-YL)-PENTANOIC ACID ME ESTER
5.beta.-Chol-9(11)-en-24-oic acid, methyl ester, acetateMethyl 3alpha-acetoxy-5beta-chol-9(11)-en-12-one-24-oateChol-9(11)-en-24-oic acid, methyl ester, (3.alpha.,5.beta.)-methyl (R)-4-((3R,5R,8S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Datenbank-Bezeichner
- CAS
4472-02-0- PubChem CID
- 240024
- Nikkaji
- J188.274K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 69,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 815
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-147 °C
- Siedepunkt
- 531 · 531.0±50.0 °C(Predicted)
- Dichte
- 1.12 · 1.12±0.1 g/cm3(Predicted)
Chemie und Industrie
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