atorvastatin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000700
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000700 contains the MS2 mass spectrum of atorvastatin with the InChIkey XUKUURHRXDUEBC-UHFFFAOYSA-N.
Source: atorvastatin
Chemical Info
| InChI | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40) |
|---|---|
| SMILES | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 |
| InChI Key | XUKUURHRXDUEBC-UHFFFAOYSA-N |
| Molecular Formula | C33H35FN2O5 |
| Exact Mass | 558.253 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 4.0 International (CC BY 4.0) |
| Id | e9d8894c-f593-4178-8fd3-b7a850230546 |
| Package id | msbnk-uob-xb000700 |
| Resource type | HTML |
| State | active |