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Methyl (3Z)-4-(2-(2-[3,4-bis(acetyloxy)phenyl]ethoxy)-2-oxoethyl)-3-ethylidene-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-3,4-dihydro-2H-pyran-5-carboxylate
SpectraBase Compound ID BnKFJm2hCZb
InChI InChI=1S/C37H44O19/c1-9-25-26(15-31(44)47-13-12-24-10-11-28(50-19(3)39)29(14-24)51-20(4)40)27(35(45)46-8)16-49-36(25)56-37-34(54-23(7)43)33(53-22(6)42)32(52-21(5)41)30(55-37)17-48-18(2)38/h9-11,14,16,26,30,32-34,36-37H,12-13,15,17H2,1-8H3/b25-9+
InChIKey HFKPLDFHUJCNDB-YCPBAFNGSA-N
Mol Weight 792.7 g/mol
Molecular Formula C37H44O19
Exact Mass 792.247679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jda56EZTOQp
Name Methyl (3Z)-4-(2-(2-[3,4-bis(acetyloxy)phenyl]ethoxy)-2-oxoethyl)-3-ethylidene-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-3,4-dihydro-2H-pyran-5-carboxylate
Alternate Name(s) Oleuropein hexaacetate
CAS Registry Number 58546-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H44O19
InChI InChI=1S/C37H44O19/c1-9-25-26(15-31(44)47-13-12-24-10-11-28(50-19(3)39)29(14-24)51-20(4)40)27(35(45)46-8)16-49-36(25)56-37-34(54-23(7)43)33(53-22(6)42)32(52-21(5)41)30(55-37)17-48-18(2)38/h9-11,14,16,26,30,32-34,36-37H,12-13,15,17H2,1-8H3/b25-9+
InChIKey HFKPLDFHUJCNDB-YCPBAFNGSA-N
Molecular Weight 792.740 g/mol
SMILES COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)\C(=C\C)C1CC(=O)OCCc1cc(OC(C)=O)c(OC(C)=O)cc1
SPLASH splash10-06ec-4911000000-e6b003ad3fec5cf2af5c
Source of Spectrum W5-1989-7009-1
Wiley ID 1417048