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MALLOPHENOL-B

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MALLOPHENOL-B
SpectraBase Compound ID 2x7dE5IOS47
InChI InChI=1S/C26H34O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h5-9,13,18,20-22,24,28-33,35H,10-11H2,1-4H3/b6-5+/t13-,18-,20-,21+,22-,24-,26-/m1/s1
InChIKey CFHLLMJNDISYRP-XIXHQSTFSA-N
Mol Weight 538.5 g/mol
Molecular Formula C26H34O12
Exact Mass 538.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3f4l4sDlyVe
Name (6S,9R)-IONONE-9-O-(6-O-GALLOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O12
InChI InChI=1S/C26H34O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h5-9,13,18,20-22,24,28-33,35H,10-11H2,1-4H3/b6-5+/t13-,18-,20-,21+,22-,24-,26-/m1/s1
InChIKey CFHLLMJNDISYRP-XIXHQSTFSA-N
Literature Reference Author T.H.T.NGUYEN,N.K.T.PHAM,K.PUDHOM,P.E.HANSEN,K.P.P.NGUYEN
Literature Reference Citation MAGN.RES.CHEM.,52,795(2014)
Literature Reference DOI 10.1002/mrc.4132
Molecular Weight 538.549 g/mol
Solvent CD3OD
Source File Reference UWBT15827