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CAS 2868-48-6

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Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate

Description:
Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate, with the CAS number 2868-48-6, is a steroid derivative characterized by its cholane backbone, which is a common structure in steroid compounds. This substance features two hydroxyl (-OH) groups at the 3 and 6 positions, contributing to its hydrophilic properties, while the methyl ester group at the 24 position enhances its lipophilicity. The stereochemistry indicated by the 3α, 5β, and 6α configurations suggests specific spatial arrangements of the hydroxyl groups, which can influence the compound's biological activity and interactions with receptors. Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate is often studied for its potential applications in biochemistry and pharmacology, particularly in relation to its role in metabolic pathways and its effects on lipid metabolism. Its solubility characteristics and reactivity can vary based on environmental conditions, making it a subject of interest in both synthetic and natural product chemistry.
Formula:C25H42O4
InChI:InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
InChI key:InChIKey=BWDRDVHYVJQWBO-QWXHOCAMSA-N
SMILES:C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(OC)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Synonyms:
  • 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-, methyl ester
  • 5β-Cholanic acid, 3α,6α-dihydroxy-, methyl ester
  • Cholan-24-oic acid, 3,6-dihydroxy-, methyl ester, (3alpha,5beta,6alpha)-
  • Cholan-24-oic acid, 3,6-dihydroxy-, methyl ester, (3α,5β,6α)-
  • Methyl (3Alpha,5Beta,6Alpha)-3,6-Dihydroxycholan-24-Oate
  • Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate
  • Methyl 3α,6α-dihydroxy-5β-cholan-24-oate
  • Methyl 3α,6α-dihydroxy-5β-cholanate
  • Methyl 3α,6α-dihydroxy-5β-cholanoate
  • Methyl Hyodeoxycholate
  • See more synonyms
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