(2E)-2,3-Dehydroxy Atorvastatin

Analyte Name

Atorvastatin 3-Deoxyhept-2E-Enoic Acid

CAS Number

1105067-93-3

Molecular Formula

C33 H33 F N2 O4

Molecular Weight

540.62

Accurate Mass

540.2424

SMILES

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C\C=C\C(=O)O

InChI

InChI=1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9+/t27-/m0/s1

IUPAC

(E,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyhept-2-enoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atorvastatin; Atorvastatin Calcium

Purity

>95% (HPLC)