| SpectraBase Spectrum ID |
2dRHN9Ru2Ug |
| Name |
Simvastatin |
| Alternate Name(s) |
Zocor
(1R,3S,7R,8R,8aS)-8-(2-((2R,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate |
| Copyright |
Copyright © 2020-2024 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-/m1/s1 |
| InChIKey |
RYMZZMVNJRMUDD-MKPQAFFTSA-N |
| Molecular Weight |
418.574 g/mol |
| SMILES |
O[C@]1(C[C@@](CC[C@@]2([C@@](C=CC3=C[C@](C[C@@](OC(C(CC)(C)C)=O)([C@@]23[H])[H])(C)[H])(C)[H])[H])(OC(C1)=O)[H])[H] |
| SPLASH |
splash10-0aba-2900000000-de51c71d610eb99bb616 |
| Source of Spectrum |
SWG-33-1998-0 |
| Wiley ID |
1809471 |
