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9,10-Anthracenedione, 1,4-dihydroxy-2-(2,2,6-trimethyl-1,3-dioxan-4-yl)-, cis-
SpectraBase Compound ID 847XSsDnXZ2
InChI InChI=1S/C21H20O6/c1-4-9-21(26-20(2,3)27-21)13-10-14(22)15-16(19(13)25)18(24)12-8-6-5-7-11(12)17(15)23/h5-8,10,22,25H,4,9H2,1-3H3
InChIKey KXFWOAHAVXTLCW-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rigvhnvw6a
Name 9,10-Anthracenedione, 1,4-dihydroxy-2-(2,2,6-trimethyl-1,3-dioxan-4-yl)-, cis-
CAS Registry Number 69016-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-4-9-21(26-20(2,3)27-21)13-10-14(22)15-16(19(13)25)18(24)12-8-6-5-7-11(12)17(15)23/h5-8,10,22,25H,4,9H2,1-3H3
InChIKey KXFWOAHAVXTLCW-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES Oc1cc(c(c2c1C(c1c(C2=O)cccc1)=O)O)C1(OC(O1)(C)C)CCC
SPLASH splash10-0296-0193000000-2e4df20446f673f4b1ea
Source of Spectrum K-111-3834-0
Synonyms 9,10-Anthracenedione, 1,4-dihydroxy-2-(2,2,6-trimethyl-1,3-dioxan-4-yl)-, trans- 1,4-Dihydroxy-2-(1R*,3R*-isopropylidendioxybutyl)-9,10-anthraquinone 1,4-Dihydroxy-2-(1R*,3S*-isopropylidendioxybutyl)-9,10-anthraquinone 2-(4,4-dimethyl-2-propyl-1,3-dioxetan-2-yl)-1,4-dihydroxyanthra-9,10-quinone
Wiley ID 1353055