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(-)-SECOISOLARICIRESINOL-4-O-BETA-D-(6-O-VERATROYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 8js8F1YkE2z
InChI InChI=1S/C35H44O14/c1-43-25-10-7-21(15-29(25)46-4)34(42)47-18-30-31(39)32(40)33(41)35(49-30)48-26-9-6-20(14-28(26)45-3)12-23(17-37)22(16-36)11-19-5-8-24(38)27(13-19)44-2/h5-10,13-15,22-23,30-33,35-41H,11-12,16-18H2,1-4H3/t22-,23+,30+,31+,32-,33+,35+/m1/s1
InChIKey QKFFBJAAEFVEBF-MRSSTLOFSA-N
Mol Weight 688.7 g/mol
Molecular Formula C35H44O14
Exact Mass 688.273106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP8TTdgosiH
Name (-)-SECOISOLARICIRESINOL-4-O-BETA-D-(6-O-VERATROYL)-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O14
InChI InChI=1S/C35H44O14/c1-43-25-10-7-21(15-29(25)46-4)34(42)47-18-30-31(39)32(40)33(41)35(49-30)48-26-9-6-20(14-28(26)45-3)12-23(17-37)22(16-36)11-19-5-8-24(38)27(13-19)44-2/h5-10,13-15,22-23,30-33,35-41H,11-12,16-18H2,1-4H3/t22-,23+,30+,31+,32-,33+,35+/m1/s1
InChIKey QKFFBJAAEFVEBF-MRSSTLOFSA-N
Literature Reference Author H.NAKAGAWA,Y.TAKAISHI,Y.FUJIMOTO,C.DUQUE,C.GARZON,M.SATO,M.O KAMOTO,T.OSHIKAWA,S.
Literature Reference Citation J.NAT.PROD.,67,1919(2004)
Literature Reference DOI 10.1021/np040006s
Molecular Weight 688.726 g/mol
Solvent CD3OD
Source File Reference UWMZ6779