Dataset

{3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2 H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80106 contains the MS mass spectrum of {3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2 H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate with the InChIkey RFTHIXXAUSTEOS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C32H32O15/c1-15(33)40-14-25-29(43-17(3)35)30(44-18(4)36)31(45-19(5)37)32(47-25)46-24-12-11-23-26(28(24)42-16(2)34)27(38)22(13-41-23)20-7-9-21(39-6)10-8-20/h7-13,25,29-32H,14H2,1-6H3
SMILES CC(=O)OCC1C(C(C(C(O1)OC2=C(C3=C(C=C2)OC=C(C3=O)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key RFTHIXXAUSTEOS-UHFFFAOYSA-N
Molecular Formula C32H32O15
Exact Mass 656.174 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-BML80106
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:42.019391
MetadataModified 2024-01-11T22:25:42.182094
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5125341 PubChem
MCULE-7133212043 Mcule
8306848 eMolecules
CHEMBL1357598 ChEMBL
The data in this table is sourced from UniChem at EBI.