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Chemical structure of Acetyllovastatin

GC35232

Acetyllovastatin

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

Acetyllovastatin, a acetate of Lovastatin, presentes a moderate inhibitory effect against the enzyme acetylcholinesterase with an IC50 of 79 μg/mL

ChemicalCAS81189-92-6MW446.58FormulaC26H38O6
CAS number
81189-92-6
Molecular weight
446.58
Formula
C26H38O6
Solubility
DMSO： ≥ 250 mg/mL (559·81 mM)
InChIKey
OYNSFDWALRRTFU-QQVNEASTSA-N
Catalogue number
GC35232
Brand
GLPBIO
Computed properties PubChem CID 90477402 · XLogP 4.8 · TPSA 78.9 Ų · H-bond donors 0
XLogP
4.8
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

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

Computed descriptors from PubChem (CID 90477402), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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