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1,4,5-Trihydroxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID BmjW4ieGYbK
InChI InChI=1S/C23H20F3NO9/c1-8-18(30)11(27-22(34)23(24,25)26)6-14(36-8)35-7-9-5-13(29)16-17(19(9)31)21(33)15-10(20(16)32)3-2-4-12(15)28/h2-5,8,11,14,18,28-31H,6-7H2,1H3,(H,27,34)/t8-,11-,14+,18+/m0/s1
InChIKey ADSHQJODCRPTSF-CSCNGDDSSA-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 HOrjatlyeh9
Name 1,4,5-Trihydroxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F3NO9
InChI InChI=1S/C23H20F3NO9/c1-8-18(30)11(27-22(34)23(24,25)26)6-14(36-8)35-7-9-5-13(29)16-17(19(9)31)21(33)15-10(20(16)32)3-2-4-12(15)28/h2-5,8,11,14,18,28-31H,6-7H2,1H3,(H,27,34)/t8-,11-,14+,18+/m0/s1
InChIKey ADSHQJODCRPTSF-CSCNGDDSSA-N
Instrument Name Finnigan MAT 8208
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 511.406 g/mol
Reported Formula C23H20F3NO9
SMILES Oc1cccc2C(c3c(cc(c(c3C(c12)=O)O)CO[C@@]1(O[C@]([C@]([C@](C1)(NC(=O)C(F)(F)F)[H])(O)[H])(C)[H])[H])O)=O
SPLASH splash10-00kr-0090000000-08882587709920651557
Source of Spectrum ARK-2008-226-17
Wiley ID 1869223