Analyte Name

Lovastatin 3,5-Acetonide Lovastatin Ester

Molecular Formula

C51 H76 O10

Molecular Weight

849.143

Accurate Mass

848.544

SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@H]3C[C@H](CC(=O)O3)OC(=O)CC4CC(CC[C@@H]5[C@H](C)C=CC6=C[C@H](C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]56)OC(C)(C)O4)[C@@H]12

InChI

InChI=1S/C51H76O10/c1-11-31(5)49(54)58-43-23-29(3)21-35-15-13-33(7)41(47(35)43)19-17-37-25-39(27-45(52)56-37)57-46(53)28-40-26-38(60-51(9,10)61-40)18-20-42-34(8)14-16-36-22-30(4)24-44(48(36)42)59-50(55)32(6)12-2/h13-16,21-22,29-34,37-44,47-48H,11-12,17-20,23-28H2,1-10H3/t29-,30-,31-,32-,33+,34+,37-,38?,39+,40?,41+,42+,43-,44-,47-,48+/m0/s1

IUPAC

[(1S,3R,7R,8R,8aR)-8-[2-[(2S,4R)-4-[2-[6-[2-[(1R,2R,6R,8S,8aS)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat