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Chemical structure of Anhydrosimvastatin

GC70731

Anhydrosimvastatin

Also known as [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Anhydrosimvastatin (Impurity C) is an impurity of Simvastatin

ChemicalCAS210980-68-0MW400.55FormulaC25H36O4
CAS number
210980-68-0
Molecular weight
400.55
Formula
C25H36O4
InChIKey
BIYWBTKPNWCYHM-RLSQPJRHSA-N
Catalogue number
GC70731
Brand
GLPBIO
Computed properties PubChem CID 58855087 · XLogP 5.8 · TPSA 52.6 Ų · H-bond donors 0
XLogP
5.8
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29

SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C

Computed descriptors from PubChem (CID 58855087), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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