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Simvastatin
SpectraBase Compound ID 7r810LTxGwF
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
InChIKey RYMZZMVNJRMUDD-HGQWONQESA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5Ad0YFOuRp6
Name Simvastatin
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01601
Lot Number 434
CAS Registry Number 79902-63-9
Classification HMG-CoA reductase inhibitors (statin)
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
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
InChIKey RYMZZMVNJRMUDD-HGQWONQESA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0123
Source of Spectrum Forensic Spectral Research
Synonyms Zocor; 2,2-Dimethylbutanoic acid, (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
Technique FT-Raman