| SpectraBase Spectrum ID |
qerZaXB7A |
| Name |
Emetine ET |
| Classification |
Emetic
Ingredient of Ipecac |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
508.330107901 u |
| Formula |
C31H44N2O4 |
| InChI |
InChI=1S/C31H44N2O4/c1-7-20-19-33-12-10-22-16-29(35-4)31(37-6)18-25(22)27(33)14-23(20)13-26-24-17-30(36-5)28(34-3)15-21(24)9-11-32(26)8-2/h15-18,20,23,26-27H,7-14,19H2,1-6H3 |
| InChIKey |
YSEOGEAWBGLCBY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
508.703 g/mol |
| SMILES |
CCC1C(CC2c3c(cc(c(c3)OC)OC)CCN2CC)CC2N(C1)CCc1cc(OC)c(cc21)OC |
| SPLASH |
splash10-0a4i-1390000000-c67d94dee0b1ed4850ee |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5614 |
