| SpectraBase Compound ID | 2gHwTUIbQbB |
|---|---|
| InChI | InChI=1S/C28H35NO6/c1-31-24-11-8-19(15-26(24)33-3)9-13-28(30)35-22-17-21-7-5-6-14-29(21)23(18-22)20-10-12-25(32-2)27(16-20)34-4/h8-13,15-16,21-23H,5-7,14,17-18H2,1-4H3/b13-9+/t21-,22+,23?/m1/s1 |
| InChIKey | SBKIUFGQHKGQAE-FGDKPHICSA-N |
| Mol Weight | 481.6 g/mol |
| Molecular Formula | C28H35NO6 |
| Exact Mass | 481.246438 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CS7SaAJ11NP |
|---|---|
| Name | (+-)-subcosine I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 481.246437845 u |
| Formula | C28H35NO6 |
| InChI | InChI=1S/C28H35NO6/c1-31-24-11-8-19(15-26(24)33-3)9-13-28(30)35-22-17-21-7-5-6-14-29(21)23(18-22)20-10-12-25(32-2)27(16-20)34-4/h8-13,15-16,21-23H,5-7,14,17-18H2,1-4H3/b13-9+/t21-,22+,23?/m1/s1 |
| InChIKey | SBKIUFGQHKGQAE-FGDKPHICSA-N |
| Molecular Weight | 481.589 g/mol |
| SMILES | C1(N2[C@@](C[C@@](C1)(OC(\C=C\C1=CC(OC)=C(C=C1)OC)=O)[H])(CCCC2)[H])C=1C=C(OC)C(=CC1)OC |