| SpectraBase Spectrum ID |
5Wm7eB6dnSi |
| Name |
Yohimbine II |
| Classification |
Pharmaceutical drug, sympatholytic |
| 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 |
983 |
| Retention Index |
3232 |
| 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-0429000000-2752a53aff8e7a38af0c |
| Sample Comments |
Stereo configuration unknown |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo\r[2',3':3,4]pyrido[1,2-b][2]benzazine-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006512 |
