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CHEBI:233896 - atorvastatin lactone

ChEBI IDCHEBI:233896
ChEBI Nameatorvastatin lactone
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SubmitterMetaboLights
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FormulaC33H33FN2O4
Net Charge0
Average Mass540.635
Monoisotopic Mass540.24244
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
InChIKeyOUCSEDFVYPBLLF-KAYWLYCHSA-N
ChEBI Ontology
Outgoing Relation(s)
atorvastatin lactone (CHEBI:233896) is a pyrroles (CHEBI:26455)
IUPAC Name 
5-(4-luorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
Manual XrefsDatabases
4983494ChemSpider
Registry NumbersSources
CAS:125995-03-1ChemIDplus