| SpectraBase Compound ID | 6G1E1qTDMIG |
|---|---|
| InChI | InChI=1S/C20H37NO2/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H2,21,22)/t14-,15-,16+,19-,20+/m0/s1 |
| InChIKey | XZOOFTGTKCVKSI-RQOBALISSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C20H37NO2 |
| Exact Mass | 323.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ypHZnOAtvt |
|---|---|
| Name | 8-Hydroxy-labdan-15-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.282429433 u |
| Formula | C20H37NO2 |
| InChI | InChI=1S/C20H37NO2/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H2,21,22)/t14-,15-,16+,19-,20+/m0/s1 |
| InChIKey | XZOOFTGTKCVKSI-RQOBALISSA-N |
| Molecular Weight | 323.521 g/mol |
| SMILES | [C@@]12([C@](C(C)(C)CCC2)(CC[C@]([C@@]1(CC[C@@](CC(=O)N)(C)[H])[H])(O)C)[H])C |