| SpectraBase Compound ID | IP7CLs5GJct |
|---|---|
| InChI | InChI=1S/C17H26N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h12-16H,2-10H2,1H3 |
| InChIKey | ZFTSMQKTSQDNDJ-UHFFFAOYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C17H26N2O3 |
| Exact Mass | 306.194343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ypcoAE1YJJ |
|---|---|
| Name | 13A-Acetoxylupanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.194342702 u |
| Formula | C17H26N2O3 |
| InChI | InChI=1S/C17H26N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h12-16H,2-10H2,1H3 |
| InChIKey | ZFTSMQKTSQDNDJ-UHFFFAOYSA-N |
| Molecular Weight | 306.406 g/mol |
| SMILES | C1C2CN3C(C1CN1C2CC(CC1)OC(C)=O)CCCC3=O |