| SpectraBase Spectrum ID |
Dm6MgmCkl60 |
| Name |
Yohimban-16-carboxylicacid,17-hydroxy-,methyl ester |
| CAS Registry Number |
1071758-83-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| 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-VKXXXJPCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
354.450 g/mol |
| Nominal Mass |
354 u |
| Quality |
985 |
| Retention Index |
2841 |
| SMILES |
OC1[C@@]([C@@]2([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])(CC1)[H])[H])(C(OC)=O)[H] |
| SPLASH |
splash10-0udi-0419000000-6df613d8df18a068b27a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Yohimbine
Methyl (1R,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_030819 |
