CAS 77731-11-4

Methyl (5β,7α,12α)-7,12-dihydroxychol-3-en-24-oate

Description:

Methyl (5β,7α,12α)-7,12-dihydroxychol-3-en-24-oate, commonly known as a derivative of cholesterol, is a steroid compound characterized by its specific hydroxyl groups and ester functional group. This compound features a steroid backbone, which is a fused four-ring structure typical of steroids, and includes two hydroxyl (-OH) groups at the 7 and 12 positions, contributing to its reactivity and biological activity. The presence of a methyl ester at the 24 position enhances its lipophilicity, influencing its solubility and interaction with biological membranes. This compound is often studied for its potential pharmacological properties, including its role in modulating cholesterol metabolism and its implications in various biological processes. Its structural characteristics allow it to participate in various biochemical pathways, making it of interest in medicinal chemistry and biochemistry. As with many steroid derivatives, it may exhibit specific biological activities, including anti-inflammatory or immunomodulatory effects, depending on its interactions with cellular receptors.

Formula: C₂₅H₄₀O₄

InChI: InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5,7,15-21,23,26-27H,6,8-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

InChI key: InChIKey=UYNYCDBHORSDKX-KGFCUSQPSA-N

SMILES: 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=CCC4)[H])[H])[H])[H]

Synonyms:

• Methyl (5β,7α,12α)-7,12-dihydroxychol-3-en-24-oate
• Chol-3-en-24-oic acid, 7,12-dihydroxy-, methyl ester, (5β,7α,12α)-