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3-(2''-CHLOROPROP-2''-ENYL-OXY)-2-[(4'R,5'R)-4',5'-DIMETHYL-1',3'-DIOXOLAN-2'-YL]-4-HYDROXY-1-METHOXY-ANTHRAQUINONE
SpectraBase Compound ID 362ePpIRJoT
InChI InChI=1S/C23H21ClO6/c1-10(24)9-15-16(23-29-11(2)12(3)30-23)22(28-4)18-17(21(15)27)19(25)13-7-5-6-8-14(13)20(18)26/h5-8,11-12,23,27H,1,9H2,2-4H3/t11-,12-/m1/s1
InChIKey IJFYKQUNDNPNMG-VXGBXAGGSA-N
Mol Weight 428.87 g/mol
Molecular Formula C23H21ClO6
Exact Mass 428.102666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsqqKqeWlf8
Name 3-(2''-CHLOROPROP-2''-ENYL-OXY)-2-[(4'R,5'R)-4',5'-DIMETHYL-1',3'-DIOXOLAN-2'-YL]-4-HYDROXY-1-METHOXY-ANTHRAQUINONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21ClO6
InChI InChI=1S/C23H21ClO6/c1-10(24)9-15-16(23-29-11(2)12(3)30-23)22(28-4)18-17(21(15)27)19(25)13-7-5-6-8-14(13)20(18)26/h5-8,11-12,23,27H,1,9H2,2-4H3/t11-,12-/m1/s1
InChIKey IJFYKQUNDNPNMG-VXGBXAGGSA-N
Literature Reference Author R.C.CAMBIE,S.E.HOLROYD,D.S.LARSEN,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,45,1589(1992)
Literature Reference DOI 10.1071/ch9921589
Molecular Weight 428.869 g/mol
Solvent CDCl3
Source File Reference UWTS2138