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CAS 3245-38-3

:

Methyl deoxycholate

Description:
Methyl deoxycholate, with the CAS number 3245-38-3, is a chemical compound that belongs to the class of bile acids and their derivatives. It is a methyl ester of deoxycholic acid, which is a naturally occurring bile acid involved in the emulsification and absorption of dietary fats. Methyl deoxycholate is characterized by its hydrophobic nature due to the presence of a steroid backbone, which contributes to its ability to interact with lipid membranes. This compound is typically used in biochemical research and may have applications in drug delivery systems due to its surfactant properties. Its structure includes a hydroxyl group and a carboxyl group, which are important for its biological activity. Methyl deoxycholate is generally stable under standard conditions but should be handled with care, as with many organic compounds, to avoid degradation or unwanted reactions. As with any chemical, proper safety protocols should be followed when handling this substance in laboratory settings.
Formula:C25H42O4
InChI:InChI=1S/C25H42O4/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/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChI key:InChIKey=ZHUOOEGSSFNTNP-JMKDMENQSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Synonyms:
  • 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-, methyl ester
  • Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-
  • Deoxycholic acid, methyl ester
  • Desoxycholic acid, methyl ester
  • Methyl (3Alpha,5Beta,12Alpha)-3,12-Dihydroxycholan-24-Oate
  • Methyl 3,12-Dihydroxycholan-24-Oate
  • Methyl 3-Alpha,12-Alpha-Dihydroxy-5-Beta-Cholan-24-Oate
  • Methyl 3α,12α-dihydroxy-5β-cholan-24-oate
  • Methyl 3α,12α-dihydroxy-5β-cholanoate
  • Methyl 7-deoxycholate
  • See more synonyms
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