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2-[2-Benzyloxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-2-(4-benzyloxy-3-methoxybenzoyl)acetic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[2-Benzyloxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-2-(4-benzyloxy-3-methoxybenzoyl)acetic acid ethyl ester
SpectraBase Compound ID FG0gAK6bJ8Q
InChI InChI=1S/C43H38O12/c1-5-51-43(47)42(38(45)28-16-18-32(34(20-28)49-3)52-24-26-12-8-6-9-13-26)54-35-21-29(17-19-33(35)53-25-27-14-10-7-11-15-27)40-41(50-4)39(46)37-31(44)22-30(48-2)23-36(37)55-40/h6-23,42,44H,5,24-25H2,1-4H3
InChIKey HKBYLUHCSZWAHZ-UHFFFAOYSA-N
Mol Weight 746.8 g/mol
Molecular Formula C43H38O12
Exact Mass 746.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aY91zWzEDH
Name 2-[2-Benzyloxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromene-2-yl)phenoxy]-2-(4-benzyloxy-3-methoxybenzoyl)acetic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 746.236326652 u
Formula C43H38O12
InChI InChI=1S/C43H38O12/c1-5-51-43(47)42(38(45)28-16-18-32(34(20-28)49-3)52-24-26-12-8-6-9-13-26)54-35-21-29(17-19-33(35)53-25-27-14-10-7-11-15-27)40-41(50-4)39(46)37-31(44)22-30(48-2)23-36(37)55-40/h6-23,42,44H,5,24-25H2,1-4H3
InChIKey HKBYLUHCSZWAHZ-UHFFFAOYSA-N
Molecular Weight 746.765 g/mol
SMILES C(C(C(C=1C=C(C(=CC1)OCC=1C=CC=CC1)OC)=O)OC=1C(=CC=C(C1)C1=C(C(C=2C(=CC(=CC2O1)OC)O)=O)OC)OCC=1C=CC=CC1)(=O)OCC