ChemicalBook--->CAS DataBase List--->915038-26-5

915038-26-5

915038-26-5 Structure

915038-26-5 Structure
IdentificationBack Directory
[Name]

3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid
[CAS]

915038-26-5
[Synonyms]

Intermediate 3
Obeticholic Impurity 5
Obeticholic Impurity 8
route 2 N-1 intermediate
Obeticholic intermediate-1
Obeticholic Acid Impurity 8
obeticholic acid Imputity 2
Obeticholic acid Impurity 02
Obeticholic Acid Intermediate G
Obeticholic acid intermediate 4
6α-ethyl-7-ketolitho cholic acid
3α-hydroxy-6α-ethyl-7-oxo-5β-cholanoic acid
3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid
3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid
3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid-o
(3α,5β,6α)--6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid
(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid
3(+/-)-hydroxy-6(+/-)-ethyl-7-keto-52-cholan-24-oic acid
Cholan-24-oic acid, 6-ethyl-3-hydroxy-7-oxo-, (3α,5β,6α)-
(3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid (BTC-B1)
(3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid (BTC-B1)
(3alpha,5beta,6alpha)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid
(3) α, five β, six α)- 6-Ethyl-3-hydroxy-7-oxy-24 cholanoic acid
Obeticholic Acid Impurity 8/6a-Ethyl-3a-hydroxy-7-keto-5?-cholan-24-oic acid
Obeticholic Acid Impurity 17 Cholan-?24-?oic acid, 6-?ethyl-?3-?hydroxy-?7-?oxo-?, (3α,?5β,?6α)?-
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C26H42O4
[MDL Number]

MFCD28411245
[MOL File]

915038-26-5.mol
[Molecular Weight]

418.62
Chemical PropertiesBack Directory
[Boiling point ]

561.5±25.0 °C(Predicted)
[density ]

1.087±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Dichloromethane; Chloroform; Ethyl Acetate; DMSO; Methanol;
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

White
[InChIKey]

LHSZAKRHUYJKIU-MLQOAFOQNA-N
[SMILES]

C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](CC)C(=O)[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,9,14,16,20,22,29,33,r|
Hazard InformationBack Directory
[Uses]

(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid is an intermediate used in the synthesis of 6α-Ethyl Ursodeoxycholic Acid (E932095), which is an epimer of Obeticholic Acid (E899810). Obeticholic Acid is a derivative of the bile acid Chenodeoxycholic Acid (C291900). Obeticholic Acid is a potent activator of the farnesoid X nuclear receptor which reduces liver fat and fibrosis in animal models of fatty liver disease.
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