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2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-4-(2-methylallyloxy)-9,10-anthraquinone
SpectraBase Compound ID KMMVg3HkNPw
InChI InChI=1S/C25H26O6/c1-13(2)12-29-19-11-18(25-30-14(3)10-15(4)31-25)24(28-5)21-20(19)22(26)16-8-6-7-9-17(16)23(21)27/h6-9,11,14-15,25H,1,10,12H2,2-5H3/t14-,15-/m1/s1
InChIKey ZPVNVIIZMHNNCJ-HUUCEWRRSA-N
Mol Weight 422.48 g/mol
Molecular Formula C25H26O6
Exact Mass 422.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5c6g1uDYx5G
Name 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-4-(2-methylallyloxy)-9,10-anthraquinone
Alternate Name(s) 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-4-(2-methylallyloxy)anthracene-9,10-dione 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-4-(2-methylprop-2-enoxy)anthracene-9,10-dione
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Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-13(2)12-29-19-11-18(25-30-14(3)10-15(4)31-25)24(28-5)21-20(19)22(26)16-8-6-7-9-17(16)23(21)27/h6-9,11,14-15,25H,1,10,12H2,2-5H3/t14-,15-/m1/s1
InChIKey ZPVNVIIZMHNNCJ-HUUCEWRRSA-N
Molecular Weight 422.477 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OCC(=C)C)cc(c1OC)C1O[C@](C)(C[C@](O1)(C)[H])[H]
SPLASH splash10-06di-9000700000-32dc0e7504841fd8f287
Source of Spectrum JA-49-677-0
Wiley ID 1378691