ortho-Hydroxyatorvastatin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01156356
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01156356 contains the MS2 mass spectrum of ortho-Hydroxyatorvastatin with the InChIkey CZBPKFICAYVHHM-JWQCQUIFSA-N.
Source: ortho-Hydroxyatorvastatin
Chemical Info
| InChI | InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1 |
|---|---|
| SMILES | CC(C1=C(C(NC2=CC=CC=C2O)=O)C(C3=CC=CC=C3)=C(C4=CC=C(F)C=C4)N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C |
| InChI Key | CZBPKFICAYVHHM-JWQCQUIFSA-N |
| Molecular Formula | C33H35FN2O6 |
| Exact Mass | 574.248 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 901ffb05-d558-4cfe-b4ae-a8075b0b6ee2 |
| Package id | msbnk-eawag-eq01156356 |
| Resource type | HTML |
| State | active |