ROSUVASTATIN
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00013
Dataset description:
This MassBank record with Accession MSBNK-UPAO-UPA00013 contains the MS2 mass spectrum of ROSUVASTATIN with the InChIkey BPRHUIZQVSMCRT-VEUZHWNKSA-N.
Source: ROSUVASTATIN
Chemical Info
| InChI | InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 |
|---|---|
| SMILES | CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C |
| InChI Key | BPRHUIZQVSMCRT-VEUZHWNKSA-N |
| Molecular Formula | C22H28FN3O6S |
| Exact Mass | 481.168 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 | License Not Specified |
| Id | 9c5da1e8-cdb1-4969-b689-16b0b308520e |
| Package id | msbnk-upao-upa00013 |
| Resource type | HTML |
| State | active |