CAS 1246302-83-9

(3β,5α,6α)-Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol

Description:

The chemical substance "(3β,5α,6α)-Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol," with the CAS number 1246302-83-9, is a deuterated derivative of cholesterol, specifically modified at the 25 and 27 positions with deuterium isotopes. This compound features a steroid backbone typical of cholesterol, characterized by a four-ring structure that includes a hydroxyl group at the 3 and 6 positions, contributing to its polar nature. The presence of deuterium enhances its stability and can be useful in various analytical techniques, such as nuclear magnetic resonance (NMR) spectroscopy, allowing for detailed studies of metabolic pathways and interactions in biological systems. The specific stereochemistry at the 3β, 5α, and 6α positions indicates its potential biological activity, particularly in relation to membrane fluidity and signaling pathways. Overall, this compound serves as a valuable tool in biochemical research, particularly in studies involving lipid metabolism and cholesterol-related functions.

Formula: C₂₇H₄₁D₇O₂

InChI: InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1/i1D3,2D3,17D

InChI key: InChIKey=PMWTYEQRXYIMND-DNWVLYPESA-N

SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])C)(CC4)[H])[H])(C[C@H](O)[C@]1(C[C@@H](O)CC2)[H])[H])[H]

Synonyms:

• 6Α-HYDROXY-5Α-CHOLESTANE-D7
• Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol, (3β,5α,6α)-
• (3β,5α,6α)-Cholest-5-ene-25,26,26,26,27,27,27-d7-3,6-diol
• 6Α-HYDROXY-5Α-CHOLESTANOL-D7