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4-BETA-(CARBOXYMETHYL)-SULPHANYL-EPIAFZELECHIN-(2-BETA->O->7,4-BETA->8)-EPIAFZELECHIN-METHYLESTER

View entire compound with spectra: 1 NMR

4-BETA-(CARBOXYMETHYL)-SULPHANYL-EPIAFZELECHIN-(2-BETA->O->7,4-BETA->8)-EPIAFZELECHIN-METHYLESTER
SpectraBase Compound ID 4ZCXRWvFxJL
InChI InChI=1S/C33H28O12S/c1-42-23(39)13-46-31-25-20(38)12-22-26(30(25)43-29(28(31)40)14-2-6-16(34)7-3-14)27-24-19(37)10-18(36)11-21(24)44-33(45-22,32(27)41)15-4-8-17(35)9-5-15/h2-12,27-29,31-32,34-38,40-41H,13H2,1H3/t27-,28-,29+,31-,32-,33+/m1/s1
InChIKey YGJQELXMPJLFBR-YHGDLYCVSA-N
Mol Weight 648.6 g/mol
Molecular Formula C33H28O12S
Exact Mass 648.130148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2X7iXCKmnO4
Name 4-BETA-(CARBOXYMETHYL)-SULPHANYL-EPIAFZELECHIN-(2-BETA->O->7,4-BETA->8)-EPIAFZELECHIN-METHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28O12S
InChI InChI=1S/C33H28O12S/c1-42-23(39)13-46-31-25-20(38)12-22-26(30(25)43-29(28(31)40)14-2-6-16(34)7-3-14)27-24-19(37)10-18(36)11-21(24)44-33(45-22,32(27)41)15-4-8-17(35)9-5-15/h2-12,27-29,31-32,34-38,40-41H,13H2,1H3/t27-,28-,29+,31-,32-,33+/m1/s1
InChIKey YGJQELXMPJLFBR-YHGDLYCVSA-N
Literature Reference Author C.FU,H.WANG,W.L.NG,L.SONG,D.HUANG
Literature Reference Citation MOLECULES,18,4282(2013)
Literature Reference DOI 10.3390/molecules18044282
Molecular Weight 648.638 g/mol
Solvent ACETONE-D6
Source File Reference UWBT9162