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SISSOTRIN
SpectraBase Compound ID G73rQhUt94g
InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey LFEUICHQZGNOHD-RECXWPGBSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5N1RGmnsYR
Name BIOCHANIN-7-O-BETA-D-GLUCOPYRANOSIDE;SISSOTRIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey LFEUICHQZGNOHD-RECXWPGBSA-N
Literature Reference Author P.LEWIS,S.KALTIA,K.WAEHAELAE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2481(1998)
Literature Reference DOI 10.1039/a804406f
Molecular Weight 446.411 g/mol
Solvent DMSO-D6
Source File Reference UWCP12164