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(7S,8R)-8-O-4'-NEOLIGNAN-4-O-BETA-GLUCOPYRANOSIDE;ERYTHRO-1-(4-O-BETA-GLUCOPYRANOSYL-3-METHOXYPHENYL)-2-[2-METHOXY-4-[1E-PROPENE-3-OL]-PHEN
SpectraBase Compound ID 3k9Mnr1Qk8K
InChI InChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21-,22?,23-,24+,25-,26-/m0/s1
InChIKey WHKMPWQXESJAPI-CCYYNYQSSA-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 39wkhYzSCn3
Name (7S,8R)-8-O-4'-NEOLIGNAN-4-O-BETA-GLUCOPYRANOSIDE;ERYTHRO-1-(4-O-BETA-GLUCOPYRANOSYL-3-METHOXYPHENYL)-2-[2-METHOXY-4-[1E-PROPENE-3-OL]-PHEN
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O12
InChI InChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21-,22?,23-,24+,25-,26-/m0/s1
InChIKey WHKMPWQXESJAPI-CCYYNYQSSA-N
Literature Reference Author I.CALIS,H.KIRMIZIBEKMEZ,J.A.BEUTLER,A.A.DOENMEZ,F.N.YALCIN,E .KILIC,M.OEZALP,P.RU
Literature Reference Citation TURK.J.CHEM.,29,71(2005)
Molecular Weight 538.549 g/mol
Solvent CD3OD
Source File Reference UWLU6021