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CAS 130593-74-7

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Cholane-24-sulfonic acid, 3,7-dihydroxy-, sodium salt (1:1), (3α,5β,7α)-

Description:
Cholane-24-sulfonic acid, 3,7-dihydroxy-, sodium salt (1:1), (3α,5β,7α)- is a synthetic derivative of bile acids, specifically a sulfonated form of cholanic acid. This compound features a steroidal structure characterized by a fused four-ring system typical of steroids, with hydroxyl groups at the 3 and 7 positions, which contribute to its solubility and biological activity. The sodium salt form indicates that the sulfonic acid group has been neutralized with sodium, enhancing its stability and solubility in aqueous environments. This compound is often utilized in biochemical and pharmaceutical research, particularly in studies related to bile acid metabolism, cell signaling, and as a potential surfactant due to its amphiphilic nature. Its specific stereochemistry, denoted by the (3α,5β,7α) configuration, plays a crucial role in its interaction with biological systems, influencing its pharmacokinetics and dynamics. Overall, cholane-24-sulfonic acid serves as an important tool in understanding the physiological roles of bile acids and their derivatives.
Formula:C24H42O5S·Na
InChI:InChI=1S/C24H42O5S.Na/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26;/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29);/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-;/m1./s1
InChI key:InChIKey=SLYNXKQUZIZUCN-CQRHUGCQSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCCS(=O)(=O)O)C)[H])[H].[Na]
Synonyms:
  • Cholane-24-sulfonic acid, 3,7-dihydroxy-, sodium salt (1:1), (3α,5β,7α)-
  • 3α,7α-Dihydroxy-5β-cholane-24-sulfonic acid monosodium salt
  • Cholane-24-sulfonic acid, 3,7-dihydroxy-, monosodium salt, (3α,5β,7α)-
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