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Chemical structure of 2'-Ethyl Simvastatin

GC70730

2'-Ethyl Simvastatin

Also known as [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate

2'-Ethyl Simvastatin (compound 6) is a Mevinolin analog, with HMG-CoA reductase inhibition

ChemicalCAS79902-42-4MW390.51FormulaC23H34O5
CAS number
79902-42-4
Molecular weight
390.51
Formula
C23H34O5
InChIKey
KJXWSYMXRPCCCZ-INTXDZFKSA-N
Catalogue number
GC70730
Brand
GLPBIO
Computed properties PubChem CID 12953866 · XLogP 3.9 · TPSA 72.8 Ų · H-bond donors 1
XLogP
3.9
TPSA
72.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

SMILES C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)C

Computed descriptors from PubChem (CID 12953866), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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