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(1R,3R,4S)-1,3-dimethyl-4,7,9-tris(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
SpectraBase Compound ID KCpPDTYEVsQ
InChI InChI=1S/C15H14O6/c1-5-10-12(13(18)6(2)21-5)14(19)8-3-7(16)4-9(17)11(8)15(10)20/h3-6,13,16-18H,1-2H3/t5-,6-,13-/m1/s1
InChIKey LJEROUHPDCFEGJ-VVTLTYDVSA-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 4I8ynytji07
Name (1R,3R,4S)-1,3-dimethyl-4,7,9-tris(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Alternate Name(s) (1R,3R,4S)-4,7,9-trihydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (1R,3R,4S)-4,7,9-trihydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (1R,3R,4S)-4,7,9-trihydroxy-1,3-dimethyl-3,4-dihydro-1H-benz[g]isochromene-5,10-quinone
CAS Registry Number 119182-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O6
InChI InChI=1S/C15H14O6/c1-5-10-12(13(18)6(2)21-5)14(19)8-3-7(16)4-9(17)11(8)15(10)20/h3-6,13,16-18H,1-2H3/t5-,6-,13-/m1/s1
InChIKey LJEROUHPDCFEGJ-VVTLTYDVSA-N
Molecular Weight 290.271 g/mol
SMILES Oc1cc2C(C3=C(C(c2c(c1)O)=O)[C@](O[C@@]([C@]3(O)[H])(C)[H])(C)[H])=O
SPLASH splash10-014i-0090000000-f25ea3a53a5bd42d0364
Source of Spectrum KC-1988-2475-1
Wiley ID 1293405