| SpectraBase Compound ID | 8uz8Du7NLKG |
|---|---|
| InChI | InChI=1S/C26H41NO/c1-17(28)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(27(6)7)24(21,2)3/h12,16,20-23H,8-11,13-15H2,1-7H3/t20-,21-,22-,23+,25-,26+/m1/s1 |
| InChIKey | MUTZYCDRKHRPOI-FAXZPQNASA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C26H41NO |
| Exact Mass | 383.318815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5H1zTBDvgAt |
|---|---|
| Name | Buxaminone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.318814943 u |
| Formula | C26H41NO |
| InChI | InChI=1S/C26H41NO/c1-17(28)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(27(6)7)24(21,2)3/h12,16,20-23H,8-11,13-15H2,1-7H3/t20-,21-,22-,23+,25-,26+/m1/s1 |
| InChIKey | MUTZYCDRKHRPOI-FAXZPQNASA-N |
| Molecular Weight | 383.620 g/mol |
| SMILES | [C@]12([C@@]([C@](C(=O)C)([H])CC2)(CC=C2[C@]1(CC[C@]1(C([C@](N(C)C)([H])CCC1=C2)(C)C)[H])[H])C)C |