Dataset

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

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80101 contains the MS mass spectrum of {3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-te trahydropyran-2-yl}methyl acetate with the InChIkey BMFOZSVMUKDKPN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H30O13/c1-15(31)37-14-25-27(39-16(2)32)28(40-17(3)33)29(41-18(4)34)30(43-25)42-21-10-11-24-22(12-21)26(35)23(13-38-24)19-6-8-20(36-5)9-7-19/h6-13,25,27-30H,14H2,1-5H3
SMILES CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)OC=C(C3=O)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key BMFOZSVMUKDKPN-UHFFFAOYSA-N
Molecular Formula C30H30O13
Exact Mass 598.169 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-BML80101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:06.505642
MetadataModified 2024-01-11T22:28:06.688367
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1356334 ChEMBL
8205588 eMolecules
MCULE-8240378346 Mcule
3473197 PubChem
The data in this table is sourced from UniChem at EBI.