| SpectraBase Compound ID | KJXgbMhhQQT |
|---|---|
| InChI | InChI=1S/C20H26N2O2/c23-11-16-15-9-18-20-14(13-3-1-2-4-17(13)21-20)7-8-22(18)10-12(15)5-6-19(16)24/h1-4,12,15-16,18-19,21,23-24H,5-11H2/t12-,15-,16?,18-,19?/m0/s1 |
| InChIKey | DJXVMDOGBIPLLL-JQLQBXIGSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C20H26N2O2 |
| Exact Mass | 326.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5A8EjUpgHtY |
|---|---|
| Name | 16-(Hydroxymethyl)-17-hydroxyyohimban |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.199428083 u |
| Formula | C20H26N2O2 |
| InChI | InChI=1S/C20H26N2O2/c23-11-16-15-9-18-20-14(13-3-1-2-4-17(13)21-20)7-8-22(18)10-12(15)5-6-19(16)24/h1-4,12,15-16,18-19,21,23-24H,5-11H2/t12-,15-,16?,18-,19?/m0/s1 |
| InChIKey | DJXVMDOGBIPLLL-JQLQBXIGSA-N |
| Molecular Weight | 326.440 g/mol |
| SMILES | C=12NC=3C=CC=CC3C1CCN1[C@@]2([H])C[C@@]2(C(C(CC[C@]2(C1)[H])O)CO)[H] |