CymitQuimica logo

CAS 229644-17-1

:

S-[[(3S,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl] hexadecanethioate

Description:
The chemical substance known as S-[[(3S,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl] hexadecanethioate, with the CAS number 229644-17-1, is a complex organic compound characterized by its unique structural features. It contains a tetrahydropyran ring, which is a six-membered cyclic ether, and multiple hydroxyl groups that contribute to its hydrophilicity and potential for hydrogen bonding. The presence of a hexadecanethioate moiety indicates that it has a long-chain fatty acid derivative, which may enhance its lipophilicity and influence its biological activity. The compound also features a chromen-7-yl group, suggesting potential interactions with biological systems, possibly as a flavonoid derivative. Its stereochemistry, indicated by the specific configuration at the tetrahydropyran ring, may play a crucial role in its reactivity and interactions with biological targets. Overall, this compound's structural complexity suggests potential applications in pharmaceuticals or biochemistry, particularly in areas related to drug design or natural product chemistry.
Formula:C32H48O8S
InChI:InChI=1/C32H48O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28(34)41-21-26-29(35)30(36)31(37)32(40-26)38-23-17-18-24-22(2)19-27(33)39-25(24)20-23/h17-20,26,29-32,35-37H,3-16,21H2,1-2H3/t26?,29-,30?,31?,32-/m1/s1
InChI key:XCNUAQFXJPMZLU-GEBXWWPGSA-N
SMILES:CCCCCCCCCCCCCCCC(=O)SCC1[C@H](C(C([C@H](Oc2ccc3c(C)cc(=O)oc3c2)O1)O)O)O
Found 6 products.