Simvastatin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU112803
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU112803 contains the MS2 mass spectrum of Simvastatin with the InChIkey RYMZZMVNJRMUDD-HGQWONQESA-N.
Source: Simvastatin
Chemical Info
| 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 |
|---|---|
| SMILES | CCC(C)(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)O)C |
| InChI Key | RYMZZMVNJRMUDD-HGQWONQESA-N |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.272 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 53e40e52-01c8-45dd-943b-13c8192c748f |
| Package id | msbnk-athens_univ-au112803 |
| Resource type | HTML |
| State | active |