Dataset

8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00785 contains the MS2 mass spectrum of 8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline with the InChIkey NCGZRLGSEHVTTI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H25NO4/c1-29-23-9-8-19-13-21-20-15-25-24(31-16-32-25)14-18(20)10-11-28(21)22(26(19)27(23)30-2)12-17-6-4-3-5-7-17/h3-9,13-15,22H,10-12,16H2,1-2H3
SMILES COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2CC6=CC=CC=C6)OCO5)OC
InChI Key NCGZRLGSEHVTTI-UHFFFAOYSA-N
Molecular Formula C27H25NO4
Exact Mass 427.178 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-BML00785
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:38.873708
MetadataModified 2024-01-11T22:27:39.054854
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3393977 PubChem
49847398 PubChem: Thomson Pharma
SCHEMBL3322007 SureChEMBL
181814 ChEBI
MCULE-2206255229 Mcule
CHEMBL1314982 ChEMBL
616924 eMolecules
The data in this table is sourced from UniChem at EBI.