For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Mesembrine-M isomer-1 3AC
SpectraBase Compound ID AJ4C3zCLRvc
InChI InChI=1S/C21H27NO6/c1-13(23)26-17-7-8-21(9-10-22(4)20(21)12-17)16-5-6-18(27-14(2)24)19(11-16)28-15(3)25/h5-6,11,17,20H,7-10,12H2,1-4H3
InChIKey WJUHVZKZPAOKGT-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2elFX7oNYJ8
Name Mesembrine-M isomer-1 3AC
Classification Alkaloid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 389.183837587 u
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-13(23)26-17-7-8-21(9-10-22(4)20(21)12-17)16-5-6-18(27-14(2)24)19(11-16)28-15(3)25/h5-6,11,17,20H,7-10,12H2,1-4H3
InChIKey WJUHVZKZPAOKGT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 389.448 g/mol
SMILES C1C2N(C)CCC2(c2ccc(c(OC(=O)C)c2)OC(C)=O)CCC1OC(=O)C
SPLASH splash10-000j-2973000000-a08de3c61a420b2a3ff1
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.
Sample Preparation Procedure Detected: UGLUCSPE
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Mesembrine-M (bis-demethyl-dihydro-) isomer-1 3AC
Technique GC/MS
Wiley ID MMPW6e_9006