Question

Give an explanation for the predicted/observed 1H NMR, 13C NMR, and MS for the compound Atorvastatin.

Give an explanation for the predicted/observed 1H NMR, 13C NMR, and MS for the compound Atorvastatin.

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Answer #1

The strucuture of atorvastatin is

It is generally used in form of its caclium salt

Proton NMR:

1. A peak near 1.3 is observed with integaration of nearly 10 protons due to
CH3, CH2 and CH protons.

2. a peak near 2 due to two hydrogens of CH2 group

3. a peak near 3.2 due to four hydrogens of CH and CH2

4. a peak near 4 due to three hydrogens of CH and
CH2 protons.

5. peaks near 7-7.5 due to 14 aromatic hydrogens

6. peak near 9.8 due to NH proton.

C13 NMr

peaks are

1. 25 due to 2 carbons of CH3 group

2. peak near 27 due to one carbon of CH

3.peak near 45 due to 3XCH2 grops

4. peak near 70 due to 2 CH groups

5. multiple peaks from 115 - 140 due to aromatic carobns (7 carbon)

6.peak near 165 due to CF

7. peak near 160 due to C=O

8. Peak near 177 due to C=O

Mass spectra

molecular ion peak near 1153 will be observed

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