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5-O-Methyl-3,3',4',7-tetrapivaloyl-Quercetin
SpectraBase Compound ID 5hiqNBeGCET
InChI InChI=1S/C36H44O11/c1-33(2,3)29(38)43-20-17-23(42-13)25-24(18-20)44-27(28(26(25)37)47-32(41)36(10,11)12)19-14-15-21(45-30(39)34(4,5)6)22(16-19)46-31(40)35(7,8)9/h14-18H,1-13H3
InChIKey OWLMZZUWAAWUDV-UHFFFAOYSA-N
Mol Weight 652.7 g/mol
Molecular Formula C36H44O11
Exact Mass 652.288362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ei5cYosWP0n
Name 5-O-Methyl-3,3',4',7-tetrapivaloyl-Quercetin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44O11
InChI InChI=1S/C36H44O11/c1-33(2,3)29(38)43-20-17-23(42-13)25-24(18-20)44-27(28(26(25)37)47-32(41)36(10,11)12)19-14-15-21(45-30(39)34(4,5)6)22(16-19)46-31(40)35(7,8)9/h14-18H,1-13H3
InChIKey OWLMZZUWAAWUDV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19943270813
Molecular Weight 652.737 g/mol
SMILES c1(cc2c(c(c1)OC)C(C(=C(O2)c1cc(c(cc1)OC(C(C)(C)C)=O)OC(=O)C(C)(C)C)OC(C(C)(C)C)=O)=O)OC(C(C)(C)C)=O
SPLASH splash10-0ldi-6000494000-55765314ed734428f8db
Source of Spectrum APC-327-537-3
Synonyms 2-(3,4-bis(pivaloyloxy)phenyl)-5-methoxy-4-oxo-4H-chromene-3,7-diyl bis(2,2-dimethylpropanoate)
Wiley ID 1799143