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(2'ALPHA,3A'ALPHA,4'ALPHA,7'ALPHA,7A'ALPHA)-2-(4',7'-DIMETHOXY-3A',4',7',7A'-TETRAHYDRO-1',3'-BENZODIOXOL-2'-YL)-4-HYDROXY-1-METHOXY-3-(2''-METHYL
SpectraBase Compound ID F45JJ5He3LL
InChI InChI=1S/C28H28O8/c1-13(2)12-16-19(28-35-25-17(32-3)10-11-18(33-4)26(25)36-28)27(34-5)21-20(24(16)31)22(29)14-8-6-7-9-15(14)23(21)30/h6-11,17-18,25-26,28,31H,1,12H2,2-5H3/t17-,18+,25+,26-,28-
InChIKey LOELLSGUVPOYDM-SBYMISEBSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3OYD2CwhBD
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-methoxy-3-(2''-methylprop-2''-enyl)anthraquinone
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Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-13(2)12-16-19(28-35-25-17(32-3)10-11-18(33-4)26(25)36-28)27(34-5)21-20(24(16)31)22(29)14-8-6-7-9-15(14)23(21)30/h6-11,17-18,25-26,28,31H,1,12H2,2-5H3/t17-,18+,25+,26-,28-
InChIKey LOELLSGUVPOYDM-SBYMISEBSA-N
Molecular Weight 492.524 g/mol
SMILES Oc1c2c(C(c3c(cccc3)C2=O)=O)c(c([C@]2(O[C@@]3([C@](C=C[C@]([C@@]3(O2)[H])(OC)[H])(OC)[H])[H])[H])c1CC(=C)C)OC
SPLASH splash10-00kr-0039300000-7ff7ce6749a015bb257d
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-1-methoxy-3-(2''-methylprop-2''-enyl)anthraquinone 2-[(3aR,4S,7R,7aS)-4,7-dimethoxy-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-yl]-4-hydroxy-1-methoxy-3-(2-methyl-2-propenyl)anthra-9,10-quinone
Wiley ID 1397584