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(4'R,6'R)-1,4-dimethoxy-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-3-(prop-2''-enyl)anthraquinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4'R,6'R)-1,4-dimethoxy-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-3-(prop-2''-enyl)anthraquinone
SpectraBase Compound ID Lojc4Or3MaN
InChI InChI=1S/C25H26O6/c1-6-9-17-18(25-30-13(2)12-14(3)31-25)24(29-5)20-19(23(17)28-4)21(26)15-10-7-8-11-16(15)22(20)27/h6-8,10-11,13-14,25H,1,9,12H2,2-5H3/t13-,14-/m1/s1
InChIKey IDJXZBJMYWGGAJ-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 EWz9fiUwFfs
Name (4'R,6'R)-1,4-dimethoxy-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-3-(prop-2''-enyl)anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-6-9-17-18(25-30-13(2)12-14(3)31-25)24(29-5)20-19(23(17)28-4)21(26)15-10-7-8-11-16(15)22(20)27/h6-8,10-11,13-14,25H,1,9,12H2,2-5H3/t13-,14-/m1/s1
InChIKey IDJXZBJMYWGGAJ-ZIAGYGMSSA-N
Molecular Weight 422.477 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(c(c1OC)C1O[C@](C)(C[C@](O1)(C)[H])[H])CC=C
SPLASH splash10-00xr-9009200000-589a1f2635aab764b1f0
Source of Spectrum B-47-1295-0
Synonyms (4'R,6'R)-1,4-dimethoxy-2-(4',6'-dimethyl-1',3'-dioxan-2'-yl)-3-(prop-2''-enyl)anthraquinone (4R,6R)-1,4-dimethoxy-2-(4,6-dimethyl-1,3-dioxan-2-yl)-3-(prop-2-enyl)anthraquinone 2-Allyl-3-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-1,4-dimethoxyanthra-9,10-quinone
Wiley ID 1378688