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2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-3-(2-methylprop-2-enyl)-4-oxidanyl-anthracene-9,10-dione
SpectraBase Compound ID JZkh9KvV2jA
InChI InChI=1S/C25H26O6/c1-12(2)10-17-18(25-30-13(3)11-14(4)31-25)24(29-5)20-19(23(17)28)21(26)15-8-6-7-9-16(15)22(20)27/h6-9,13-14,25,28H,1,10-11H2,2-5H3/t13-,14-/m1/s1
InChIKey CFYWXFZMRRHEDB-ZIAGYGMSSA-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 53IYoyxqBqK
Name 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-methoxy-3-(2-methylprop-2-enyl)-4-oxidanyl-anthracene-9,10-dione
Alternate Name(s) 3-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-hydroxy-4-methoxy-2-(2-methylallyl)-9,10-anthraquinone 3-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-hydroxy-4-methoxy-2-(2-methylallyl)anthracene-9,10-dione 3-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1-hydroxy-4-methoxy-2-(2-methylprop-2-enyl)anthracene-9,10-dione
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Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-12(2)10-17-18(25-30-13(3)11-14(4)31-25)24(29-5)20-19(23(17)28)21(26)15-8-6-7-9-16(15)22(20)27/h6-9,13-14,25,28H,1,10-11H2,2-5H3/t13-,14-/m1/s1
InChIKey CFYWXFZMRRHEDB-ZIAGYGMSSA-N
Molecular Weight 422.477 g/mol
SMILES Oc1c2c(C(c3c(cccc3)C2=O)=O)c(c(c1CC(=C)C)C1O[C@](C)(C[C@](O1)(C)[H])[H])OC
SPLASH splash10-00xr-0009300000-2e85aff7f6f8c533ed26
Source of Spectrum JA-49-677-0
Wiley ID 1378690