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1-(4-HYDROXY-3-METHOXYPHENYL)-1,2-BIS-{4-[(E)-3-ACETOXYPROPEN-1-YL]-2-METHOXYPHENOXY}-PROPAN-3-OL-ACETATE
SpectraBase Compound ID 4TTPRrlifyu
InChI InChI=1S/C36H40O12/c1-23(37)44-17-7-9-26-11-15-30(33(19-26)42-5)47-35(22-46-25(3)39)36(28-13-14-29(40)32(21-28)41-4)48-31-16-12-27(20-34(31)43-6)10-8-18-45-24(2)38/h7-16,19-21,35-36,40H,17-18,22H2,1-6H3/b9-7+,10-8+
InChIKey UTMRFFNSYJGTAO-FIFLTTCUSA-N
Mol Weight 664.7 g/mol
Molecular Formula C36H40O12
Exact Mass 664.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GXQVFWBde0
Name 1-(4-HYDROXY-3-METHOXYPHENYL)-1,2-BIS-{4-[(E)-3-ACETOXYPROPEN-1-YL]-2-METHOXYPHENOXY}-PROPAN-3-OL-ACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O12
InChI InChI=1S/C36H40O12/c1-23(37)44-17-7-9-26-11-15-30(33(19-26)42-5)47-35(22-46-25(3)39)36(28-13-14-29(40)32(21-28)41-4)48-31-16-12-27(20-34(31)43-6)10-8-18-45-24(2)38/h7-16,19-21,35-36,40H,17-18,22H2,1-6H3/b9-7+,10-8+
InChIKey UTMRFFNSYJGTAO-FIFLTTCUSA-N
Literature Reference Author S.VALCIC,G.MONTENEGRO,B.N.TIMMERMANN
Literature Reference Citation J.NAT.PROD.,61,771(1998)
Literature Reference DOI 10.1021/np980017j
Molecular Weight 664.706 g/mol
Solvent CDCl3
Source File Reference UWCP155