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SACCHARUMOSIDE_A;(7-R,8-S)-4-O-(6-VANILLOYL)-BETA-D-GLUCOPYRANOSYL-DIHYDRODEHYDROCONIFERYL_ALCOHOL
SpectraBase Compound ID AvWOLq0K6yW
InChI InChI=1S/C34H40O14/c1-42-24-14-19(6-8-22(24)37)33(41)45-16-27-28(38)29(39)30(40)34(47-27)46-23-9-7-18(13-25(23)43-2)31-21(15-36)20-11-17(5-4-10-35)12-26(44-3)32(20)48-31/h6-9,11-14,21,27-31,34-40H,4-5,10,15-16H2,1-3H3/t21-,27-,28-,29+,30-,31+,34-/m1/s1
InChIKey VGTBWTHKJXOATF-DIGBNQJTSA-N
Mol Weight 672.7 g/mol
Molecular Formula C34H40O14
Exact Mass 672.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LP154WSRpd
Name SACCHARUMOSIDE_A;(7-R,8-S)-4-O-(6-VANILLOYL)-BETA-D-GLUCOPYRANOSYL-DIHYDRODEHYDROCONIFERYL_ALCOHOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40O14
InChI InChI=1S/C34H40O14/c1-42-24-14-19(6-8-22(24)37)33(41)45-16-27-28(38)29(39)30(40)34(47-27)46-23-9-7-18(13-25(23)43-2)31-21(15-36)20-11-17(5-4-10-35)12-26(44-3)32(20)48-31/h6-9,11-14,21,27-31,34-40H,4-5,10,15-16H2,1-3H3/t21-,27-,28-,29+,30-,31+,34-/m1/s1
InChIKey VGTBWTHKJXOATF-DIGBNQJTSA-N
Literature Reference Author T.YUAN,C.WAN,A.GONZALEZ-SARRIAS,V.KANDHI,N.B.CECH,N.P.SEERAM
Literature Reference Citation J.NAT.PROD.,74,2472(2011)
Literature Reference DOI 10.1021/np200678n
Molecular Weight 672.683 g/mol
Sample ID 39602
Solvent CD3OD