Dataset

9-{6-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2,3-dimethoxyphenoxy}-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00867 contains the MS2 mass spectrum of 9-{6-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2,3-dimethoxyphenoxy}-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline with the InChIkey UNAWQKTWGFQKSW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H48N2O8/c1-42-14-12-23-18-32(45-4)33(46-5)21-27(23)29(42)16-25-10-11-31(44-3)41(50-9)39(25)51-35-20-26-17-30-37-24(13-15-43(30)2)19-36(48-7)40(49-8)38(37)28(26)22-34(35)47-6/h10-11,18-22,29-30H,12-17H2,1-9H3
SMILES CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC
InChI Key UNAWQKTWGFQKSW-UHFFFAOYSA-N
Molecular Formula C41H48N2O8
Exact Mass 696.341 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00867
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:41.535220
MetadataModified 2024-01-11T22:28:41.722172
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4365802 PubChem
70101162 NMRShiftDB
The data in this table is sourced from UniChem at EBI.