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CAS 10538-58-6

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Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate

Description:
Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate, with the CAS number 10538-58-6, is a steroid derivative characterized by its specific structural features, including a hydroxyl group and a ketone functional group. This compound belongs to the class of bile acids and steroids, which are known for their biological significance, particularly in lipid metabolism and digestion. The presence of the methyl ester group indicates that it can participate in esterification reactions, making it relevant in synthetic organic chemistry. Its stereochemistry, denoted by the 5β and 12α configurations, suggests specific spatial arrangements that can influence its biological activity and interactions with enzymes or receptors. The compound may exhibit solubility in organic solvents and limited solubility in water, typical of steroid compounds. Overall, its unique structure and functional groups contribute to its potential applications in pharmaceuticals and biochemistry, particularly in studies related to metabolism and hormonal regulation.
Formula:C25H40O4
InChI:InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChI key:InChIKey=LOJPGRHPJBGMMF-CNZSLQMUSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CC(=O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Synonyms:
  • 1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
  • 5β-Cholan-24-oic acid, 12α-hydroxy-3-oxo-, methyl ester
  • 5β-Cholanic acid, 12α-hydroxy-3-oxo-, methyl ester
  • Cholan-24-oic acid, 12-hydroxy-3-oxo-, methyl ester, (5β,12α)-
  • Methyl (5Beta,12Alpha)-12-Hydroxy-3-Oxocholan-24-Oate
  • Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
  • Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
  • Methyl 12α-hydroxy-3-oxo-5β-cholanate
  • Methyl-3-keto-12α-hydroxy-5β-cholanoate
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Found 1 products.
  • Methyl 3-Oxo-desoxycholate
    TRC
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    Methyl 3-Oxo-desoxycholate

    Controlled Product
    CAS:
    <p>Applications Used in the preparation of bile acid-based amino sterols with antimicrobal activity.<br>References Li,Q. &amp; Tochtrop,G.; Tetrahedron Lett. 52, 4137 (2011); Aher, N. et al.; Bioorg. Med. Chem. Lett. 19, 5411 (2009)<br></p>
    Formula:C25H40O4
    Color and Shape:Neat
    Molecular weight:404.58

    Ref: TR-M321200

    250mg
    266.00€
    2500mg
    1,798.00€