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SEDANON_D;(S)-3-(5-METHOXY-2,2-DIMETHYL-2-H-CHROMEN-8-YL)-CHROMAN-7,8-DIOL
SpectraBase Compound ID 8bSE7dN5u44
InChI InChI=1S/C21H22O5/c1-21(2)9-8-15-17(24-3)7-5-14(20(15)26-21)13-10-12-4-6-16(22)18(23)19(12)25-11-13/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m1/s1
InChIKey KNTUHDQKUKWCPM-CYBMUJFWSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASqKP2Dx27Y
Name SEDANON_D;(S)-3-(5-METHOXY-2,2-DIMETHYL-2-H-CHROMEN-8-YL)-CHROMAN-7,8-DIOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-21(2)9-8-15-17(24-3)7-5-14(20(15)26-21)13-10-12-4-6-16(22)18(23)19(12)25-11-13/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m1/s1
InChIKey KNTUHDQKUKWCPM-CYBMUJFWSA-N
Literature Reference Author G.BELOFSKY,M.KOLACZKOWSKI,F.ADAMS,J.SCHREIBER,V.EISENBERG,C. M.COLEMAN,Y.ZOU,D.FE
Literature Reference Citation J.NAT.PROD.,76,915(2013)
Literature Reference DOI 10.1021/np4000763
Molecular Weight 354.403 g/mol
Sample ID 42518
Solvent CDCl3