For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Hydroxy-2-[2-hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propionic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-2-[2-hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propionic acid ethyl ester
SpectraBase Compound ID BBhWEj6skcY
InChI InChI=1S/C29H28O12/c1-5-39-29(35)28(24(33)14-6-8-17(30)20(10-14)37-3)40-21-11-15(7-9-18(21)31)26-27(38-4)25(34)23-19(32)12-16(36-2)13-22(23)41-26/h6-13,24,28,30-33H,5H2,1-4H3
InChIKey UUIWIHAOVIJMND-UHFFFAOYSA-N
Mol Weight 568.53 g/mol
Molecular Formula C29H28O12
Exact Mass 568.158076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2le4sDOfxnm
Name 3-Hydroxy-2-[2-hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O12
InChI InChI=1S/C29H28O12/c1-5-39-29(35)28(24(33)14-6-8-17(30)20(10-14)37-3)40-21-11-15(7-9-18(21)31)26-27(38-4)25(34)23-19(32)12-16(36-2)13-22(23)41-26/h6-13,24,28,30-33H,5H2,1-4H3
InChIKey UUIWIHAOVIJMND-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080517
Molecular Weight 568.531 g/mol
SMILES Oc1c(cc(C(C(Oc2c(ccc(c2)C2=C(C(c3c(cc(cc3O2)OC)O)=O)OC)O)C(=O)OCC)O)cc1)OC
SPLASH splash10-0uk9-0915000000-d3eecef0b1e4ccf3d64b
Source of Spectrum K-108-1496-34
Synonyms Ethyl 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(2-hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenoxy)propanoate
Wiley ID 1793900