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1,4,5-Trihydroxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.beta.-L-lyxo-hexofuranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID Cg6kLviijeW
InChI InChI=1S/C23H20F3NO9/c1-8(28)21-11(27-22(34)23(24,25)26)6-14(36-21)35-7-9-5-13(30)16-17(18(9)31)20(33)15-10(19(16)32)3-2-4-12(15)29/h2-5,8,11,14,21,28-31H,6-7H2,1H3,(H,27,34)/t8-,11-,14-,21+/m0/s1
InChIKey QHKDSOLWROWARY-VNPYSVINSA-N
Mol Weight 511.41 g/mol
Molecular Formula C23H20F3NO9
Exact Mass 511.109016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jR2gBglfs
Name 1,4,5-Trihydroxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.beta.-L-lyxo-hexofuranosyl)-methyl]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F3NO9
InChI InChI=1S/C23H20F3NO9/c1-8(28)21-11(27-22(34)23(24,25)26)6-14(36-21)35-7-9-5-13(30)16-17(18(9)31)20(33)15-10(19(16)32)3-2-4-12(15)29/h2-5,8,11,14,21,28-31H,6-7H2,1H3,(H,27,34)/t8-,11-,14-,21+/m0/s1
InChIKey QHKDSOLWROWARY-VNPYSVINSA-N
Instrument Name Finnigan MAT 8216
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 511.406 g/mol
Reported Formula C23H20F3NO12
SMILES Oc1cccc2c1C(c1c(c(cc(c1O)CO[C@@]1(C[C@@]([C@](O1)([C@](C)(O)[H])[H])(NC(C(F)(F)F)=O)[H])[H])O)C2=O)=O
SPLASH splash10-0079-2490000000-bfc4122d73a8abe721e6
Source of Spectrum ARK-2008-229-26
Wiley ID 1869230