| SpectraBase Compound ID | 7BS5UtamVjM |
|---|---|
| InChI | InChI=1S/C22H38N2O/c1-13-17-6-7-18-16-5-4-14-10-15(23-3)8-9-21(14,2)20(16)19(25)11-22(17,18)12-24-13/h13-20,23-25H,4-12H2,1-3H3/t13?,14?,15?,16?,17?,18?,19-,20?,21?,22?/m1/s1 |
| InChIKey | RBYUTJLKJYAOQQ-PCNGHYCISA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C22H38N2O |
| Exact Mass | 346.298414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpSplHPigk0 |
|---|---|
| Name | 12.beta.-Hydroxy-dihydroconamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.298413851 u |
| Formula | C22H38N2O |
| InChI | InChI=1S/C22H38N2O/c1-13-17-6-7-18-16-5-4-14-10-15(23-3)8-9-21(14,2)20(16)19(25)11-22(17,18)12-24-13/h13-20,23-25H,4-12H2,1-3H3/t13?,14?,15?,16?,17?,18?,19-,20?,21?,22?/m1/s1 |
| InChIKey | RBYUTJLKJYAOQQ-PCNGHYCISA-N |
| Molecular Weight | 346.559 g/mol |
| SMILES | C123C(C4CCC5C(C4[C@@](C3)(O)[H])(CCC(NC)C5)C)CCC1C(C)NC2 |