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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-1-methoxyanthraquinone
SpectraBase Compound ID KoWtUcukJ4v
InChI InChI=1S/C24H22O8/c1-28-15-8-9-16(29-2)23-22(15)31-24(32-23)13-10-14(25)17-18(21(13)30-3)20(27)12-7-5-4-6-11(12)19(17)26/h4-10,15-16,22-25H,1-3H3/t15-,16+,22+,23-,24?
InChIKey NUDKKNOJIHFFMD-XQMAQABHSA-N
Mol Weight 438.43 g/mol
Molecular Formula C24H22O8
Exact Mass 438.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r4C4lRFvCa
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-1-methoxyanthraquinone
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Formula C24H22O8
InChI InChI=1S/C24H22O8/c1-28-15-8-9-16(29-2)23-22(15)31-24(32-23)13-10-14(25)17-18(21(13)30-3)20(27)12-7-5-4-6-11(12)19(17)26/h4-10,15-16,22-25H,1-3H3/t15-,16+,22+,23-,24?
InChIKey NUDKKNOJIHFFMD-XQMAQABHSA-N
Molecular Weight 438.432 g/mol
SMILES Oc1c2c(C(c3c(cccc3)C2=O)=O)c(c(C2O[C@@]3([C@](C=C[C@]([C@@]3(O2)[H])(OC)[H])(OC)[H])[H])c1)OC
SPLASH splash10-052b-0090700000-04377a2a5cd2dfdd6b6b
Source of Spectrum B-46-37-0
Synonyms (2'a,3a'b,4'b,7'b,7a'b)-2-(4',7'-dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-1-methoxyanthraquinone 2-[(3aR,4S,7R,7aS)-4,7-dimethoxy-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-yl]-4-hydroxy-1-methoxyanthra-9,10-quinone
Wiley ID 1384118