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Moxaverine-M 3AC
SpectraBase Compound ID 1kHw8SQWRvq
InChI InChI=1S/C26H27NO8/c1-14(33-15(2)28)21-11-19-12-26(35-17(4)30)25(32-6)13-20(19)22(27-21)9-18-7-8-23(34-16(3)29)24(10-18)31-5/h7-8,10-14H,9H2,1-6H3
InChIKey UOWCFDKWBGMFLD-UHFFFAOYSA-N
Mol Weight 481.5 g/mol
Molecular Formula C26H27NO8
Exact Mass 481.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZCobXloZdg
Name Moxaverine-M 3AC
Classification Antispasmotic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 481.173666825 u
Formula C26H27NO8
InChI InChI=1S/C26H27NO8/c1-14(33-15(2)28)21-11-19-12-26(35-17(4)30)25(32-6)13-20(19)22(27-21)9-18-7-8-23(34-16(3)29)24(10-18)31-5/h7-8,10-14H,9H2,1-6H3
InChIKey UOWCFDKWBGMFLD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 481.501 g/mol
SMILES c1c(cc(OC)c(c1)OC(C)=O)Cc1nc(C(C)OC(C)=O)cc2c1cc(c(OC(C)=O)c2)OC
SPLASH splash10-00bi-1229400000-a9b5425efc1bdc7edf53
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-methoxy-) 3AC
Technique GC/MS
Wiley ID MMPW6e_3235