Dataset
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 |
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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 |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00013 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T22:10:00.847251 |
MetadataModified | 2024-09-23T09:46:00.855886 |
MetadataPublished |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |