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(2'a,3a'a,4'a,7'a,7a'a)-2-(4',7'-dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-3-(2''-methylprop-2''-enyl)anthraquinone

View entire compound with spectra: 1 NMR

(2'a,3a'a,4'a,7'a,7a'a)-2-(4',7'-dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-3-(2''-methylprop-2''-enyl)anthraquinone
SpectraBase Compound ID 6etNcjcoNFa
InChI InChI=1S/C27H26O7/c1-13(2)11-16-17(27-33-25-19(31-3)9-10-20(32-4)26(25)34-27)12-18-21(24(16)30)23(29)15-8-6-5-7-14(15)22(18)28/h5-10,12,19-20,25-27,30H,1,11H2,2-4H3/t19-,20+,25+,26-,27-
InChIKey SSWUSMCTAXAPNW-HLBJSZPOSA-N
Mol Weight 462.5 g/mol
Molecular Formula C27H26O7
Exact Mass 462.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuEBtWvP0gP
Name (2'ALPHA,3A'ALPHA,4'ALPHA,7'ALPHA,7A'A)-2-(4',7'-DIMETHOXY-3A',4',7',7A'-TETRAHYDRO-1',3'-BENZODIOXOL-2'-YL)-4-HYDROXY-3-(2''-METHYLPROP-2''-ENYL)-ANTHRAQUINONE;
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O7
InChI InChI=1S/C27H26O7/c1-13(2)11-16-17(27-33-25-19(31-3)9-10-20(32-4)26(25)34-27)12-18-21(24(16)30)23(29)15-8-6-5-7-14(15)22(18)28/h5-10,12,19-20,25-27,30H,1,11H2,2-4H3/t19-,20+,25+,26-,27-
InChIKey SSWUSMCTAXAPNW-HLBJSZPOSA-N
Literature Reference Author R.C.CAMBIE,S.E.HOLROYD,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,46,37(1993)
Literature Reference DOI 10.1071/ch9930037
Molecular Weight 462.499 g/mol
Solvent Unknown
Source File Reference UWAT1203