| SpectraBase Compound ID | Ej2O1xTRAiw |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16+,18+,19-,20+/m1/s1 |
| InChIKey | DBCVUIBEXPYXAJ-AKMABLNSSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KNmD83fEjgE |
|---|---|
| Name | 11.alpha.-methoxy-17.alpha.-epi-yohimbine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16+,18+,19-,20+/m1/s1 |
| InChIKey | DBCVUIBEXPYXAJ-AKMABLNSSA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | [nH]1c2cc(ccc2c2c1[C@@]1(C[C@@]3([C@@]([C@@](CC[C@@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H])OC |
| SPLASH | splash10-001i-0019000000-daae7a7d048f43c8283e |
| Source of Spectrum | X2-45-742-9 |
| Wiley ID | 1601035 |