| SpectraBase Compound ID | 4gXICdiYT7f |
|---|---|
| InChI | InChI=1S/C22H28N2O6/c1-24-8-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)5-14-13-3-2-4-15-18(13)12(7-23-15)6-16(14)24/h2-5,7,11,16-17,19-23,25-28H,6,8-10H2,1H3/t11-,16-,17-,19+,20+,21-,22-/m1/s1 |
| InChIKey | PNWPXMYYLYEFLR-SASGOCEXSA-N |
| Mol Weight | 416.47 g/mol |
| Molecular Formula | C22H28N2O6 |
| Exact Mass | 416.194737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2gOOsnOu98 |
|---|---|
| Name | Lysergol-.beta.,D-galactoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.194736624 u |
| Formula | C22H28N2O6 |
| InChI | InChI=1S/C22H28N2O6/c1-24-8-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)5-14-13-3-2-4-15-18(13)12(7-23-15)6-16(14)24/h2-5,7,11,16-17,19-23,25-28H,6,8-10H2,1H3/t11-,16-,17-,19+,20+,21-,22-/m1/s1 |
| InChIKey | PNWPXMYYLYEFLR-SASGOCEXSA-N |
| Molecular Weight | 416.474 g/mol |
| SMILES | C1=2[C@](N(C)C[C@@](C2)(CO[C@]2([C@@]([C@@](O)([C@]([C@](O2)(CO)[H])(O)[H])[H])(O)[H])[H])[H])(CC=2C3=C1C=CC=C3NC2)[H] |