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9,10-Anthracenedione, 2-(1,3-dihydroxybutyl)-1,4-dihydroxy-, (R*,R*)-
SpectraBase Compound ID KEoiomOzycb
InChI InChI=1S/C18H16O6/c1-8(19)6-12(20)11-7-13(21)14-15(18(11)24)17(23)10-5-3-2-4-9(10)16(14)22/h2-5,7-8,12,19-21,24H,6H2,1H3/t8-,12-/m1/s1
InChIKey PHSWHNWQUDAASC-PRHODGIISA-N
Mol Weight 328.32 g/mol
Molecular Formula C18H16O6
Exact Mass 328.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GyxGJagPxx
Name 9,10-Anthracenedione, 2-(1,3-dihydroxybutyl)-1,4-dihydroxy-, (R*,R*)-
Alternate Name(s) 1,4-Dihydroxy-2-(1R*,3R*-dihydroxybutyl)-9,10-anthraquinone 2-[(1R,3R)-1,3-dihydroxybutyl]-1,4-dihydroxyanthra-9,10-quinone
CAS Registry Number 69016-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O6
InChI InChI=1S/C18H16O6/c1-8(19)6-12(20)11-7-13(21)14-15(18(11)24)17(23)10-5-3-2-4-9(10)16(14)22/h2-5,7-8,12,19-21,24H,6H2,1H3/t8-,12-/m1/s1
InChIKey PHSWHNWQUDAASC-PRHODGIISA-N
Molecular Weight 328.320 g/mol
SMILES Oc1c2c(c(c([C@@](C[C@](O)(C)[H])(O)[H])c1)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-02tc-0194000000-f6979277d1665847360a
Source of Spectrum K-111-3835-0
Wiley ID 1326206