| SpectraBase Compound ID | LW8BlgeqSJO |
|---|---|
| InChI | InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17?,18?/m0/s1 |
| InChIKey | AADVZSXPNRLYLV-ZNPMUWAKSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C20H24N2O3 |
| Exact Mass | 340.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6VJWYmAwyyU |
|---|---|
| Name | Yohimbinic acid |
| CAS Registry Number | 522-87-2 |
| Classification | Pharmaceutical drug precursor |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 340.178692638 u |
| Formula | C20H24N2O3 |
| InChI | InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17?,18?/m0/s1 |
| InChIKey | AADVZSXPNRLYLV-ZNPMUWAKSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 340.423 g/mol |
| Nominal Mass | 340 u |
| Quality | 904 |
| SMILES | OC1CC[C@@]2([C@@](C1C(=O)O)(C[C@@]1(N(C2)CCC2=C1NC=1C2=CC=CC1)[H])[H])[H] |
| SPLASH | splash10-0553-2914000000-720879ab92e2a78c4b47 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 17alpha-Hydroxy-16alpha-yohimbanecarboxylic acid |
| Technique | DI/MS |
| Wiley ID | DD2024_004267 |