| SpectraBase Compound ID | GgMaXEhqh5a |
|---|---|
| InChI | InChI=1S/C27H35N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-14,25H,8-10,15-21H2,1H3,(H,28,32)/t25-/m0/s1 |
| InChIKey | HUDOOYHDLWWVPB-VWLOTQADSA-N |
| Mol Weight | 449.6 g/mol |
| Molecular Formula | C27H35N3O3 |
| Exact Mass | 449.267842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Jp294Tiylr |
|---|---|
| Name | Acetyldihydrocelacinnine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.267841996 u |
| Formula | C27H35N3O3 |
| InChI | InChI=1S/C27H35N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-14,25H,8-10,15-21H2,1H3,(H,28,32)/t25-/m0/s1 |
| InChIKey | HUDOOYHDLWWVPB-VWLOTQADSA-N |
| Molecular Weight | 449.595 g/mol |
| SMILES | C1=CC=C(C=C1)[C@@]1(CC(NCCCN(CCCCN1C(C)=O)C(CCC1=CC=CC=C1)=O)=O)[H] |