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CAS 28535-81-1

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Methyl (3α,5β,7α)-3,7-bis(acetyloxy)-12-oxocholan-24-oate

Description:
Methyl (3α,5β,7α)-3,7-bis(acetyloxy)-12-oxocholan-24-oate, with the CAS number 28535-81-1, is a synthetic derivative of bile acids, specifically a modified form of cholanoic acid. This compound features a steroidal backbone typical of bile acids, characterized by a fused four-ring structure. The presence of acetoxy groups at the 3 and 7 positions enhances its solubility and reactivity, making it useful in various biochemical applications. The oxo group at the 12 position indicates a ketone functionality, which can influence its biological activity and interactions. This compound is often studied for its potential roles in pharmacology, particularly in relation to its effects on lipid metabolism and its potential as a therapeutic agent. Its structural modifications may also affect its binding affinity to biological receptors, making it a subject of interest in medicinal chemistry. Overall, this compound exemplifies the complexity and versatility of steroid derivatives in biochemical research.
Formula:C29H44O7
InChI:InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
InChI key:InChIKey=GVIZCQOBODPSLY-ZNYVGMLLSA-N
SMILES:O(C(C)=O)[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(OC)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](OC(C)=O)CC4)[H])[H])[H])[H]
Synonyms:
  • 3α,7α-Diacetoxy-12-oxo-5β-cholan-24-oic acid methyl ester
  • 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate
  • 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester, diacetate
  • Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-oxo-, methyl ester, (3α,5β,7α)-
  • Methyl (3Alpha,5Beta,7Alpha)-3,7-Bis(Acetyloxy)-12-Oxocholan-24-Oate
  • Methyl (3α,5β,7α)-3,7-bis(acetyloxy)-12-oxocholan-24-oate
  • Methyl 3,7-Bis(Acetyloxy)-12-Oxocholan-24-Oate
  • Methyl 3-alpha,7-alpha-diacetoxy-12-oxo-5-beta-cholan-24-oate
  • Methyl 3α,7α-diacetoxy-12-oxo-5β-cholan-24-oate
  • Methyl 3α,7α-diacetoxy-12-oxo-5β-cholanate
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