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3,3',4',7-Tetrapivaloyl-Quercetin
SpectraBase Compound ID CB2MQmTKSfB
InChI InChI=1S/C35H42O11/c1-32(2,3)28(38)42-19-16-20(36)24-23(17-19)43-26(27(25(24)37)46-31(41)35(10,11)12)18-13-14-21(44-29(39)33(4,5)6)22(15-18)45-30(40)34(7,8)9/h13-17,36H,1-12H3
InChIKey CNNGIQRYOCPDFP-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C35H42O11
Exact Mass 638.272712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAM0Waq5n98
Name 3,3',4',7-Tetrapivaloyl-Quercetin
Alternate Name(s) 2-(3,4-bis(pivaloyloxy)phenyl)-5-hydroxy-4-oxo-4H-chromene-3,7-diyl bis(2,2-dimethylpropanoate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42O11
InChI InChI=1S/C35H42O11/c1-32(2,3)28(38)42-19-16-20(36)24-23(17-19)43-26(27(25(24)37)46-31(41)35(10,11)12)18-13-14-21(44-29(39)33(4,5)6)22(15-18)45-30(40)34(7,8)9/h13-17,36H,1-12H3
InChIKey CNNGIQRYOCPDFP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19943270813
Molecular Weight 638.710 g/mol
SMILES Oc1c2c(cc(c1)OC(C(C)(C)C)=O)OC(=C(C2=O)OC(C(C)(C)C)=O)c1cc(c(cc1)OC(C(C)(C)C)=O)OC(=O)C(C)(C)C
SPLASH splash10-0a4r-9000122000-107f5ec380e80f0ce7f9
Source of Spectrum APC-327-537-2
Wiley ID 1799142