Simvastatin Hydroxy Acid Ethyl Ester

Analyte Name

Simvastatin Hydroxy Acid Ethyl Ester

CAS Number

864357-87-9

Molecular Formula

C27 H44 O6

Molecular Weight

464.63

Accurate Mass

464.3138

SMILES

CCOC(=O)C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]12

InChI

InChI=1S/C27H44O6/c1-7-27(5,6)26(31)33-23-14-17(3)13-19-10-9-18(4)22(25(19)23)12-11-20(28)15-21(29)16-24(30)32-8-2/h9-10,13,17-18,20-23,25,28-29H,7-8,11-12,14-16H2,1-6H3/t17-,18-,20+,21+,22-,23-,25-/m0/s1

IUPAC

ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Simvastatin

Purity

>95% (HPLC)