| SpectraBase Compound ID | EtzawOPL7YB |
|---|---|
| InChI | InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10?,13?,14-,17?/m0/s1 |
| InChIKey | IHRIHUJNKKMIDN-IOZHMPNSSA-N |
| Mol Weight | 357.4 g/mol |
| Molecular Formula | C17H27NO7 |
| Exact Mass | 357.178752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Bow9cQCUFb |
|---|---|
| Name | Uplandicine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.178752206 u |
| Formula | C17H27NO7 |
| InChI | InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10?,13?,14-,17?/m0/s1 |
| InChIKey | IHRIHUJNKKMIDN-IOZHMPNSSA-N |
| Molecular Weight | 357.403 g/mol |
| SMILES | C(C(OCC=1[C@@]2(N(CCC2OC(=O)C)CC1)[H])=O)(C(O)(C)C)(C(O)C)O |