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MYRCIACITRIN-IV;(2S)-6,8-DIMETHYL-5,7,2',5'-TETRAHYDROXY-FLAVANONE-7-O-(6''-O-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JTOBrsuspL6
InChI InChI=1S/C32H32O13/c1-14-26(38)25-21(36)12-22(19-11-18(34)8-9-20(19)35)43-31(25)15(2)30(14)45-32-29(41)28(40)27(39)23(44-32)13-42-24(37)10-5-16-3-6-17(33)7-4-16/h3-11,22-23,27-29,32-35,38-41H,12-13H2,1-2H3/b10-5+/t22-,23-,27-,28+,29-,32+/m0/s1
InChIKey VPHZQTMMIZNNMH-IZCKHLFSSA-N
Mol Weight 624.6 g/mol
Molecular Formula C32H32O13
Exact Mass 624.184291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9pmjTNBHph
Name MYRCIACITRIN-IV;(2S)-6,8-DIMETHYL-5,7,2',5'-TETRAHYDROXY-FLAVANONE-7-O-(6''-O-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32O13
InChI InChI=1S/C32H32O13/c1-14-26(38)25-21(36)12-22(19-11-18(34)8-9-20(19)35)43-31(25)15(2)30(14)45-32-29(41)28(40)27(39)23(44-32)13-42-24(37)10-5-16-3-6-17(33)7-4-16/h3-11,22-23,27-29,32-35,38-41H,12-13H2,1-2H3/b10-5+/t22-,23-,27-,28+,29-,32+/m0/s1
InChIKey VPHZQTMMIZNNMH-IZCKHLFSSA-N
Literature Reference Author H.MATSUDA,N.NISHIDA,M.YOSHIKAWA
Literature Reference Citation CHEM.PHARM.BULL.,50,429(2002)
Literature Reference DOI 10.1248/cpb.50.429
Molecular Weight 624.598 g/mol
Solvent DMSO-D6
Source File Reference UWVN7960