Dataset

2-(3,4-diacetyloxyphenyl)-4-oxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)]chromen-5-yl acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80186 contains the MS mass spectrum of 2-(3,4-diacetyloxyphenyl)-4-oxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)]chromen-5-yl acetate with the InChIkey JDAPIOVVXOAJOM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C35H34O18/c1-15(36)44-14-30-32(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(53-30)51-23-11-28(47-18(4)39)31-24(43)13-26(52-29(31)12-23)22-8-9-25(45-16(2)37)27(10-22)46-17(3)38/h8-13,30,32-35H,14H2,1-7H3
SMILES CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key JDAPIOVVXOAJOM-UHFFFAOYSA-N
Molecular Formula C35H34O18
Exact Mass 742.175 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-BML80186
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:51.731903
MetadataModified 2024-01-11T22:28:51.897892
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1517581 ChEMBL
8306822 eMolecules
3710744 PubChem
MCULE-6471884931 Mcule
MolPort-004-952-372 MolPort
The data in this table is sourced from UniChem at EBI.