| SpectraBase Compound ID | 5X1NinYpsud |
|---|---|
| InChI | InChI=1S/C26H38N4O4/c1-16(2)15-20-24(31)27-13-12-18-8-10-19(11-9-18)34-23(17(3)4)22(26(33)28-20)29-25(32)21-7-6-14-30(21)5/h8-13,16-17,20-23H,6-7,14-15H2,1-5H3,(H,27,31)(H,28,33)(H,29,32)/b13-12- |
| InChIKey | VAPUILOXKWGXSJ-SEYXRHQNSA-N |
| Mol Weight | 470.6 g/mol |
| Molecular Formula | C26H38N4O4 |
| Exact Mass | 470.289306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3c2wLZMwkKD |
|---|---|
| Name | Ceanothine C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.289305716 u |
| Formula | C26H38N4O4 |
| InChI | InChI=1S/C26H38N4O4/c1-16(2)15-20-24(31)27-13-12-18-8-10-19(11-9-18)34-23(17(3)4)22(26(33)28-20)29-25(32)21-7-6-14-30(21)5/h8-13,16-17,20-23H,6-7,14-15H2,1-5H3,(H,27,31)(H,28,33)(H,29,32)/b13-12- |
| InChIKey | VAPUILOXKWGXSJ-SEYXRHQNSA-N |
| Molecular Weight | 470.614 g/mol |
| SMILES | C1(C(NC(C(N\C=C/C2=CC=C(OC1C(C)C)C=C2)=O)CC(C)C)=O)NC(C1N(CCC1)C)=O |