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CINNACASSOSIDE-A;7'-HYDROXY-9'-BETA-D-GLUCOPYRANOSYLOXYL-SECOISOLARICIRESINOL
SpectraBase Compound ID 9qCy8aGkpLJ
InChI InChI=1S/C26H36O12/c1-35-19-8-13(3-5-17(19)29)7-15(10-27)16(22(31)14-4-6-18(30)20(9-14)36-2)12-37-26-25(34)24(33)23(32)21(11-28)38-26/h3-6,8-9,15-16,21-34H,7,10-12H2,1-2H3/t15?,16?,21-,22?,23-,24+,25-,26-/m0/s1
InChIKey CXYWMYSBAJSPRK-XLGWWQIESA-N
Mol Weight 540.6 g/mol
Molecular Formula C26H36O12
Exact Mass 540.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bJYZT7SUk1
Name CINNACASSOSIDE-A;7'-HYDROXY-9'-BETA-D-GLUCOPYRANOSYLOXYL-SECOISOLARICIRESINOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O12
InChI InChI=1S/C26H36O12/c1-35-19-8-13(3-5-17(19)29)7-15(10-27)16(22(31)14-4-6-18(30)20(9-14)36-2)12-37-26-25(34)24(33)23(32)21(11-28)38-26/h3-6,8-9,15-16,21-34H,7,10-12H2,1-2H3/t15?,16?,21-,22?,23-,24+,25-,26-/m0/s1
InChIKey CXYWMYSBAJSPRK-XLGWWQIESA-N
Literature Reference Author Q.LUO,S.M.WANG,Q.LU,J.LUO,Y.X.CHENG
Literature Reference Citation MOLECULES,18,10930(2013)
Literature Reference DOI 10.3390/molecules180910930
Molecular Weight 540.565 g/mol
Solvent DMSO-D6
Source File Reference UWIR9362