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CAS 3749-87-9

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

Description:
Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate, commonly known as a derivative of bile acids, is a steroid compound characterized by its complex structure that includes multiple hydroxyl and acetoxy functional groups. This compound is typically derived from cholanic acid, which is a key component in bile, playing a significant role in fat digestion and absorption. The presence of acetoxy groups enhances its solubility and reactivity, making it useful in various biochemical applications. The specific stereochemistry indicated by the α and β designations is crucial for its biological activity, influencing how it interacts with enzymes and receptors in the body. Additionally, the methyl ester form suggests that it may exhibit different solubility and permeability characteristics compared to its free acid counterpart. Overall, this compound is of interest in medicinal chemistry and biochemistry, particularly in studies related to metabolism and the pharmacological effects of bile acids.
Formula:C29H46O7
InChI:InChI=1/C29H46O7/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/h16,19-25,27,32H,7-15H2,1-6H3
InChI key:InChIKey=VKXXPYARELKQOY-CXFLVZIOSA-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@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](OC(C)=O)CC4)[H])[H])[H])[H]
Synonyms:
  • 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester
  • Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-
  • Cholic acid, methyl ester, 3,7-diacetate
  • Methyl (3Alpha,5Beta,7Alpha,12Alpha)-3,7-Bis(Acetyloxy)-12-Hydroxycholan-24-Oate
  • Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
  • Methyl 3,7-Bis(Acetyloxy)-12-Hydroxycholan-24-Oate
  • Methyl 3,7-di-O-acetylcholate
  • Methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate
  • Einecs 223-151-6
  • 3α,7α-Bis(acetyloxy)-12α-hydroxy-5β-cholan-24-oic acid methyl ester
  • methyl 3α,7α-diacetoxy-12α-hydroxy cholanate
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