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(4'R,6'R)-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-4-methoxy-3-(2''-methylprop-2''-enyloxy)anthraquinone

View entire compound with spectra: 1 MS (GC)

(4'R,6'R)-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-4-methoxy-3-(2''-methylprop-2''-enyloxy)anthraquinone
SpectraBase Compound ID COETMUrVPkQ
InChI InChI=1S/C25H26O5/c1-13(2)10-18-19(25-29-14(3)11-15(4)30-25)12-20-21(24(18)28-5)23(27)17-9-7-6-8-16(17)22(20)26/h6-9,12,14-15,25H,1,10-11H2,2-5H3/t14-,15-/m1/s1
InChIKey QNPLIRXHQYJHAA-HUUCEWRRSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KunHhY51gie
Name (4'R,6'R)-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-4-methoxy-3-(2''-methylprop-2''-enyloxy)anthraquinone
Alternate Name(s) (4'R,6'R)-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-4-methoxy-3-(2''-methylprop-2''-enyloxy)anthraquinone (4'R,6'R)-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-4-methoxy-3-(2''-methyl-prop-2''-en-yl)-anthraquinone
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Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-13(2)10-18-19(25-29-14(3)11-15(4)30-25)12-20-21(24(18)28-5)23(27)17-9-7-6-8-16(17)22(20)26/h6-9,12,14-15,25H,1,10-11H2,2-5H3/t14-,15-/m1/s1
InChIKey QNPLIRXHQYJHAA-HUUCEWRRSA-N
Molecular Weight 406.478 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)cc(C2O[C@](C)(C[C@](O2)(C)[H])[H])c(c1OC)CC(=C)C
SPLASH splash10-0zmi-0029100000-34daa7a8a6b9014f36c2
Source of Spectrum JA-49-677-0
Wiley ID 1372325