Analyte Name

6'-Ketopravastatin Lactone

CAS Number

124773-83-7

Molecular Formula

C23H32O6

Molecular Weight

404.5

Accurate Mass

404.2199

SMILES

CC[C@H](C)C(=O)O[C@H]1CC(=O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

InChI

InChI=1S/C23H32O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,17-20,22,25H,4,7-8,10-12H2,1-3H3/t13-,14-,17+,18+,19-,20-,22-/m0/s1

IUPAC

[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat