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

*Links on SpectraBase are not permalinks.
Moxaverine-M isomer-2 3AC
SpectraBase Compound ID 5gwFew8D64c
InChI InChI=1S/C25H25NO7/c1-14(31-15(2)27)22-11-19-12-24(30-5)25(33-17(4)29)13-21(19)23(26-22)10-18-6-8-20(9-7-18)32-16(3)28/h6-9,11-14H,10H2,1-5H3
InChIKey ITLAXNUZAXNFRE-UHFFFAOYSA-N
Mol Weight 451.48 g/mol
Molecular Formula C25H25NO7
Exact Mass 451.163102 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 86v93sTQVzA
Name Moxaverine-M isomer-2 3AC
Classification Antispasmotic
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 451.163102142 u
Formula C25H25NO7
InChI InChI=1S/C25H25NO7/c1-14(31-15(2)27)22-11-19-12-24(30-5)25(33-17(4)29)13-21(19)23(26-22)10-18-6-8-20(9-7-18)32-16(3)28/h6-9,11-14H,10H2,1-5H3
InChIKey ITLAXNUZAXNFRE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 451.475 g/mol
SMILES c1c(ccc(c1)OC(C)=O)Cc1nc(C(C)OC(C)=O)cc2cc(c(cc12)OC(C)=O)OC
SPLASH splash10-0a4l-0139100000-3c8261c570fd082dfba9
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Moxaverine-M (O-demethyl-di-HO-) isomer-2 3AC
Technique GC/MS
Wiley ID MMPW6e_3233