| SpectraBase Compound ID | 8KeizIOHReV |
|---|---|
| InChI | InChI=1S/C22H29NO3S/c1-16-4-7-19(8-5-16)27(24,25)22(3)12-10-20-17(2)6-9-21(23(20)15-22)18-11-13-26-14-18/h4-5,7-8,11,13-14,17,20-21H,6,9-10,12,15H2,1-3H3/t17?,20?,21?,22-/m0/s1 |
| InChIKey | XONGUEMVRKYYME-MUBNQFKJSA-N |
| Mol Weight | 387.54 g/mol |
| Molecular Formula | C22H29NO3S |
| Exact Mass | 387.186815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 83WIl7lXWEb |
|---|---|
| Name | 7.alpha.-(p-Tolunesulfonyl)-7-epideoxynupharidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.186814969 u |
| Formula | C22H29NO3S |
| InChI | InChI=1S/C22H29NO3S/c1-16-4-7-19(8-5-16)27(24,25)22(3)12-10-20-17(2)6-9-21(23(20)15-22)18-11-13-26-14-18/h4-5,7-8,11,13-14,17,20-21H,6,9-10,12,15H2,1-3H3/t17?,20?,21?,22-/m0/s1 |
| InChIKey | XONGUEMVRKYYME-MUBNQFKJSA-N |
| Molecular Weight | 387.538 g/mol |
| SMILES | C1N2C(CC[C@@]1(S(C1=CC=C(C=C1)C)(=O)=O)C)C(CCC2C1=COC=C1)C |