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Simvastatin

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CAT	APS79902639
CAS	79902-63-9
Structure
MDL Number	MFCD00072007
Synonyms	(+)-Simvastatin, Zocord, Cholestat, Sinvacor, Eucor, Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1alpha,3alpha,7beta,8beta(2S,4S),8abeta]]-, Lodales, Sinvascor, Valemia, Kolestevan, Modutrol, Simvastatin lactone, Denan, Velostatin, Simvotin, L 644128-000U, Nor-Vastina, Synvinolin, Simcor, MK 733, Rechol, Lipinorm, Liponorm, Simovil, Zocor,Simvastatin, Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester (9CI), Statin, Lipovas, Lipex, Sivastin
IUPAC Name	[(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] 2,2-dimethylbutanoate
Molecular Weight	418.57
Molecular Formula	C25H38O5
Canonical SMILES	CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
InChI	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChI Key	RYMZZMVNJRMUDD-HGQWONQESA-N

Accurate Mass	418.2719
Format	Neat

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