atorvastatin_BTP_M1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000701
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000701 contains the MS2 mass spectrum of atorvastatin_BTP_M1 with the InChIkey OUCSEDFVYPBLLF-UHFFFAOYSA-N.
Source: atorvastatin_BTP_M1
Chemical Info
| InChI | InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39) |
|---|---|
| SMILES | CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 |
| InChI Key | OUCSEDFVYPBLLF-UHFFFAOYSA-N |
| Molecular Formula | C33H33FN2O4 |
| Exact Mass | 540.242 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 | e9ccb76c-d7a4-4092-9c43-a26f4ea5cdb9 |
| Package id | msbnk-uob-xb000701 |
| Resource type | HTML |
| State | active |