SpectraBase Spectrum ID |
2oING5LW2W8 |
Name |
Yohimbine |
CAS Registry Number |
146-48-5 |
Classification |
Pharmaceutical drug, sympatholytic |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
354.194342702 u |
Formula |
C21H26N2O3 |
InChI |
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18?,19?/m0/s1 |
InChIKey |
BLGXFZZNTVWLAY-YAKXIKDJSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
354.450 g/mol |
Nominal Mass |
354 u |
Quality |
914 |
Retention Index |
3269 |
SMILES |
OC1C([C@@]2([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])(CC1)[H])[H])C(OC)=O |
SPLASH |
splash10-0udi-1619000000-44cf209e5c12245ef58c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Corynine
Johimbin
Johimbina
Methyl-17alpha-hydroxy-yohimban-16alpha-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_029821 |