![Benzyl (2S)-3-methyl-2-{[(2S,3R)-2-methyl-3-(tetrahydro-2H-pyran-2-yloxy)decanoyl]amino}butanoate](/api/spectrum/2hutCZYZeYu/structure.png?h=300&w=458 "Benzyl (2S)-3-methyl-2-{[(2S,3R)-2-methyl-3-(tetrahydro-2H-pyran-2-yloxy)decanoyl]amino}butanoate")
| SpectraBase Compound ID | ZDJ4WFbDeO |
|---|---|
| InChI | InChI=1S/C28H45NO5/c1-5-6-7-8-12-17-24(34-25-18-13-14-19-32-25)22(4)27(30)29-26(21(2)3)28(31)33-20-23-15-10-9-11-16-23/h9-11,15-16,21-22,24-26H,5-8,12-14,17-20H2,1-4H3,(H,29,30)/t22-,24+,25?,26-/m0/s1 |
| InChIKey | VZBLPFZXTKRWGN-JKALNNFOSA-N |
| Mol Weight | 475.7 g/mol |
| Molecular Formula | C28H45NO5 |
| Exact Mass | 475.329774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hutCZYZeYu |
|---|---|
| Name | Benzyl (2S)-3-methyl-2-{[(2S,3R)-2-methyl-3-(tetrahydro-2H-pyran-2-yloxy)decanoyl]amino}butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.329773548 u |
| Formula | C28H45NO5 |
| InChI | InChI=1S/C28H45NO5/c1-5-6-7-8-12-17-24(34-25-18-13-14-19-32-25)22(4)27(30)29-26(21(2)3)28(31)33-20-23-15-10-9-11-16-23/h9-11,15-16,21-22,24-26H,5-8,12-14,17-20H2,1-4H3,(H,29,30)/t22-,24+,25?,26-/m0/s1 |
| InChIKey | VZBLPFZXTKRWGN-JKALNNFOSA-N |
| Molecular Weight | 475.670 g/mol |
| SMILES | C(N[C@](C(OCC=1C=CC=CC1)=O)(C(C)C)[H])([C@]([C@](OC1OCCCC1)(CCCCCCC)[H])(C)[H])=O |