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1,8-Dihydroxy-2-[1-O-(2',3',6'-Trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexofuranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID IZ0zlu7OeBR
InChI InChI=1S/C23H20F3NO8/c1-9(28)21-13(27-22(33)23(24,25)26)7-15(35-21)34-8-10-5-6-12-17(18(10)30)20(32)16-11(19(12)31)3-2-4-14(16)29/h2-6,9,13,15,21,28-30H,7-8H2,1H3,(H,27,33)/t9-,13-,15-,21+/m0/s1
InChIKey IYQWEDPVVMYCGU-LPPLRYCZSA-N
Mol Weight 495.41 g/mol
Molecular Formula C23H20F3NO8
Exact Mass 495.114101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfvvYML0YYF
Name 1,8-Dihydroxy-2-[1-O-(2',3',6'-Trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexofuranosyl)-methyl]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F3NO8
InChI InChI=1S/C23H20F3NO8/c1-9(28)21-13(27-22(33)23(24,25)26)7-15(35-21)34-8-10-5-6-12-17(18(10)30)20(32)16-11(19(12)31)3-2-4-14(16)29/h2-6,9,13,15,21,28-30H,7-8H2,1H3,(H,27,33)/t9-,13-,15-,21+/m0/s1
InChIKey IYQWEDPVVMYCGU-LPPLRYCZSA-N
Instrument Name Finnigan MAT 8213
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 495.407 g/mol
Reported Formula C23H20F3NO8
SMILES Oc1cccc2c1C(c1c(ccc(c1O)CO[C@@]1(C[C@@]([C@](O1)([C@](C)(O)[H])[H])(NC(C(F)(F)F)=O)[H])[H])C2=O)=O
SPLASH splash10-0w90-0390000000-bb5c8428172935151577
Source of Spectrum ARK-2008-228-23
Wiley ID 1869227