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acetic acid [(2S,3R,4S,5R,6R)-3,5-diacetoxy-2-[5-acetoxy-4-keto-6-methoxy-2-(4-methoxyphenyl)chromen-7-yl]oxy-6-(acetoxymethyl)tetrahydropyran-4-yl] ester

View entire compound with spectra: 1 NMR

acetic acid [(2S,3R,4S,5R,6R)-3,5-diacetoxy-2-[5-acetoxy-4-keto-6-methoxy-2-(4-methoxyphenyl)chromen-7-yl]oxy-6-(acetoxymethyl)tetrahydropyran-4-yl] ester
SpectraBase Compound ID K0cRaZJ1lz9
InChI InChI=1S/C33H34O16/c1-15(34)42-14-26-29(43-16(2)35)31(45-18(4)37)32(46-19(5)38)33(49-26)48-25-13-24-27(30(28(25)41-7)44-17(3)36)22(39)12-23(47-24)20-8-10-21(40-6)11-9-20/h8-13,26,29,31-33H,14H2,1-7H3/t26-,29-,31+,32-,33-/m1/s1
InChIKey WTASVVAFIJUTQY-PIGFVBQZSA-N
Mol Weight 686.6 g/mol
Molecular Formula C33H34O16
Exact Mass 686.184685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dO0NMHVvee
Name acetic acid [(2S,3R,4S,5R,6R)-3,5-diacetoxy-2-[5-acetoxy-4-keto-6-methoxy-2-(4-methoxyphenyl)chromen-7-yl]oxy-6-(acetoxymethyl)tetrahydropyran-4-yl] ester
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H34O16
InChI InChI=1S/C33H34O16/c1-15(34)42-14-26-29(43-16(2)35)31(45-18(4)37)32(46-19(5)38)33(49-26)48-25-13-24-27(30(28(25)41-7)44-17(3)36)22(39)12-23(47-24)20-8-10-21(40-6)11-9-20/h8-13,26,29,31-33H,14H2,1-7H3/t26-,29-,31+,32-,33-/m1/s1
InChIKey WTASVVAFIJUTQY-PIGFVBQZSA-N
Literature Reference Author S.BEGUM,A.WAHAB,B.S.SIDDIQUI,F.QAMAR
Literature Reference Citation J.NAT.PROD.,63,765(2000)
Literature Reference DOI 10.1021/np9903548
Molecular Weight 686.623 g/mol
Solvent CDCl3
Source File Reference UWRU8236