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(3S)-3,8-dihydroxy-3-methyl-1,2-dihydrobenzo[a]anthracene-4,7,12-trione
SpectraBase Compound ID AgmfJbZN2rz
InChI InChI=1S/C19H14O5/c1-19(24)8-7-9-10(18(19)23)5-6-12-14(9)16(21)11-3-2-4-13(20)15(11)17(12)22/h2-6,20,24H,7-8H2,1H3/t19-/m0/s1
InChIKey UHWMLIZIMFVSKA-IBGZPJMESA-N
Mol Weight 322.32 g/mol
Molecular Formula C19H14O5
Exact Mass 322.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8189DaNxW2D
Name (3S)-3,8-dihydroxy-3-methyl-1,2-dihydrobenzo[a]anthracene-4,7,12-trione
Alternate Name(s) (3S)-3,8-dihydroxy-3-methyl-1,2-dihydrobenz[a]anthracene-4,7,12-trione (3S)-3-methyl-3,8-bis(oxidanyl)-1,2-dihydrobenzo[a]anthracene-4,7,12-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O5
InChI InChI=1S/C19H14O5/c1-19(24)8-7-9-10(18(19)23)5-6-12-14(9)16(21)11-3-2-4-13(20)15(11)17(12)22/h2-6,20,24H,7-8H2,1H3/t19-/m0/s1
InChIKey UHWMLIZIMFVSKA-IBGZPJMESA-N
Molecular Weight 322.316 g/mol
SMILES O[C@@]1(C(c2c(c3c(C(c4c(cccc4C3=O)O)=O)cc2)CC1)=O)C
SPLASH splash10-0h6r-0092000000-7d7a88cb817ff1ec48ec
Source of Spectrum F-54-4838-23
Wiley ID 806695