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(1R,2S,3R)-1,2,3,8-tetrahydroxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
SpectraBase Compound ID 1UOsTPflE9M
InChI InChI=1S/C15H14O6/c1-15(21)5-7-10(13(19)14(15)20)12(18)9-6(11(7)17)3-2-4-8(9)16/h2-4,13-14,16,19-21H,5H2,1H3/t13-,14+,15-/m1/s1
InChIKey XWPBUGDLVJLBLO-QLFBSQMISA-N
Mol Weight 290.27 g/mol
Molecular Formula C15H14O6
Exact Mass 290.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zLo60PXoFj
Name (1R,2S,3R)-1,2,3,8-tetrahydroxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Alternate Name(s) (1R,2S,3R)-1,2,3,8-tetrahydroxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-quinone (1R,2S,3R)-3-methyl-1,2,3,8-tetrakis(oxidanyl)-2,4-dihydro-1H-anthracene-9,10-dione
CAS Registry Number 132335-81-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O6
InChI InChI=1S/C15H14O6/c1-15(21)5-7-10(13(19)14(15)20)12(18)9-6(11(7)17)3-2-4-8(9)16/h2-4,13-14,16,19-21H,5H2,1H3/t13-,14+,15-/m1/s1
InChIKey XWPBUGDLVJLBLO-QLFBSQMISA-N
Molecular Weight 290.271 g/mol
SMILES Oc1c2c(C(C3=C([C@]([C@@]([C@@](C3)(O)C)(O)[H])(O)[H])C2=O)=O)ccc1
SPLASH splash10-014o-0090000000-56b53925ba45a06210d5
Source of Spectrum F-46-4730-12
Wiley ID 1293401