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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

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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
SpectraBase Compound ID 5WfyRuZTHVE
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
InChIKey SSWUSMCTAXAPNW-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C27H26O7
Exact Mass 462.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz8ojACDRG8
Name (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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
InChIKey SSWUSMCTAXAPNW-UHFFFAOYSA-N
Molecular Weight 462.498 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(C2OC3C(C=CC(C3O2)OC)OC)c1CC(=C)C
SPLASH splash10-01p9-0096600000-408a48e7793ab0fc34aa
Source of Spectrum B-46-37-0
Synonyms (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 3-(4,7-dimethoxy-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-yl)-1-hydroxy-2-(2-methyl-2-propenyl)anthra-9,10-quinone
Wiley ID 1391103