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CAS 78608-74-9

:

Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-

Description:
Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-, commonly referred to as a derivative of cholesterol, is a steroid compound characterized by its complex structure featuring multiple hydroxyl groups and a carboxylic acid functional group. The presence of three hydroxyl groups at the 3, 7, and 12 positions contributes to its hydrophilic properties, while the steroid backbone provides a hydrophobic character. This dual nature allows it to interact with both lipid and aqueous environments, making it relevant in biological systems. The specific stereochemistry indicated by the (3β,5β,7α,12α) configuration is crucial for its biological activity, influencing its interaction with cellular membranes and proteins. Cholestan-26-oic acid is often studied for its potential roles in cholesterol metabolism and its implications in various physiological processes. Its CAS number, 78608-74-9, is a unique identifier that facilitates its identification in chemical databases and literature. Overall, this compound exemplifies the intricate relationship between structure and function in biochemistry.
Formula:C27H46O5
InChI:InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChI key:InChIKey=CNWPIIOQKZNXBB-XTZASNGSSA-N
SMILES:O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCCC(C(O)=O)C)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@@H](O)CC4)[H])[H])[H])[H]
Synonyms:
  • Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-
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