![N-OXIDE-IMPURITY;2-[4-[1-HYDROXY-4-[4-[HYDROXY-(DIPHENYL)-METHYL]-1-OXIDOPIPERIDIN-1-YL]-BUTYL]-PHENYL]-2-METHYL-PROPANOIC-ACID](/api/spectrum/7nAvMgMxoGe/structure.png?h=300&w=458 "N-OXIDE-IMPURITY;2-[4-[1-HYDROXY-4-[4-[HYDROXY-(DIPHENYL)-METHYL]-1-OXIDOPIPERIDIN-1-YL]-BUTYL]-PHENYL]-2-METHYL-PROPANOIC-ACID")
| SpectraBase Compound ID | 1MfbUTHWagA |
|---|---|
| InChI | InChI=1S/C32H39NO5/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33(38)22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | NZZCEGUGWNGQJN-UHFFFAOYSA-N |
| Mol Weight | 517.7 g/mol |
| Molecular Formula | C32H39NO5 |
| Exact Mass | 517.282823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nAvMgMxoGe |
|---|---|
| Name | N-OXIDE-IMPURITY;2-[4-[1-HYDROXY-4-[4-[HYDROXY-(DIPHENYL)-METHYL]-1-OXIDOPIPERIDIN-1-YL]-BUTYL]-PHENYL]-2-METHYL-PROPANOIC-ACID |
| Compound Number | A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H39NO5 |
| InChI | InChI=1S/C32H39NO5/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33(38)22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | NZZCEGUGWNGQJN-UHFFFAOYSA-N |
| Literature Reference Author | B.VAGHELA,S.S.RAO,A.M.REDDY,P.VENKATESH,N.KUMAR |
| Literature Reference Citation | SCI.PHARM.,80,295(2012) |
| Literature Reference DOI | 10.3797/scipharm.1111-07 |
| Molecular Weight | 517.665 g/mol |
| Sample ID | 73506 |
| Solvent | DMSO-D6 |