Dataset

O-Acetylsolasodine

This MassBank record with Accession MSBNK-RIKEN-PR300773 contains the MS2 mass spectrum of O-Acetylsolasodine with the InChIkey MCQNPWNREVNWDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3
SMILES CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC(C)=O)OC11CCC(C)CN1
InChI Key MCQNPWNREVNWDQ-UHFFFAOYSA-N
Molecular Formula C29H45NO3
Exact Mass 455.683 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300773
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:35.229761
MetadataModified 2024-01-11T20:42:35.392609
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1390509 ChEMBL
DTXSID60294382 EPA CompTox Dashboard
6159-99-5 ACToR
262502 PubChem
MCULE-2709801187 Mcule
SCHEMBL14420713 SureChEMBL
The data in this table is sourced from UniChem at EBI.