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4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-[[2,6-bis(acetyloxy)-4-methoxy-3-methylphenyl]ph enylmethyl]-2,3-dihydro-8-methyl-2-phenyl-
SpectraBase Compound ID IBlJQeqQMI
InChI InChI=1S/C39H36O11/c1-20-29(45-7)19-31(46-22(3)40)34(36(20)47-23(4)41)32(27-16-12-9-13-17-27)35-38(48-24(5)42)21(2)37-33(39(35)49-25(6)43)28(44)18-30(50-37)26-14-10-8-11-15-26/h8-17,19,30,32H,18H2,1-7H3
InChIKey WKWHPKLHEPAXFO-UHFFFAOYSA-N
Mol Weight 680.7 g/mol
Molecular Formula C39H36O11
Exact Mass 680.225762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QvNNFR2s5E
Name 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-[[2,6-bis(acetyloxy)-4-methoxy-3-methylphenyl]ph enylmethyl]-2,3-dihydro-8-methyl-2-phenyl-
Alternate Name(s) 2,4-Diacetoxy-6-methoxy-tolyl-3-(5,7-diacetoxy-8-methyl)flavanonyl-6-phenylmethane 5-(acetyloxy)-6-[[2,6-bis(acetyloxy)-4-methoxy-3-methylphenyl](phenyl)methyl]-8-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl acetate
CAS Registry Number 60715-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36O11
InChI InChI=1S/C39H36O11/c1-20-29(45-7)19-31(46-22(3)40)34(36(20)47-23(4)41)32(27-16-12-9-13-17-27)35-38(48-24(5)42)21(2)37-33(39(35)49-25(6)43)28(44)18-30(50-37)26-14-10-8-11-15-26/h8-17,19,30,32H,18H2,1-7H3
InChIKey WKWHPKLHEPAXFO-UHFFFAOYSA-N
Molecular Weight 680.706 g/mol
SMILES c12c(c(C)c(c(c2OC(=O)C)C(c2c(c(C)c(cc2OC(=O)C)OC)OC(=O)C)c2ccccc2)OC(=O)C)OC(CC1=O)c1ccccc1
SPLASH splash10-001d-1282292000-08f272593330e95b5252
Source of Spectrum F-37-2606-0
Wiley ID 1414343