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1,4-Dihydroxy-5-methoxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID Ln3WhikEi7R
InChI InChI=1S/C24H22F3NO9/c1-9-19(30)12(28-23(34)24(25,26)27)7-15(37-9)36-8-10-6-13(29)17-18(20(10)31)22(33)16-11(21(17)32)4-3-5-14(16)35-2/h3-6,9,12,15,19,29-31H,7-8H2,1-2H3,(H,28,34)/t9-,12-,15+,19+/m0/s1
InChIKey UEXMEJVIMBVTHX-GVOKHUQRSA-N
Mol Weight 525.43 g/mol
Molecular Formula C24H22F3NO9
Exact Mass 525.124666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwtxLlghI1X
Name 1,4-Dihydroxy-5-methoxy-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 C24H22F3NO9
InChI InChI=1S/C24H22F3NO9/c1-9-19(30)12(28-23(34)24(25,26)27)7-15(37-9)36-8-10-6-13(29)17-18(20(10)31)22(33)16-11(21(17)32)4-3-5-14(16)35-2/h3-6,9,12,15,19,29-31H,7-8H2,1-2H3,(H,28,34)/t9-,12-,15+,19+/m0/s1
InChIKey UEXMEJVIMBVTHX-GVOKHUQRSA-N
Instrument Name Finnigan MAT 8207
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 525.433 g/mol
Reported Formula C24H22F3NO9
SMILES Oc1c2C(c3c(cccc3C(c2c(cc1CO[C@@]1(O[C@]([C@]([C@](C1)(NC(=O)C(F)(F)F)[H])(O)[H])(C)[H])[H])O)=O)OC)=O
SPLASH splash10-0ue9-0198010000-40c3d6a4dcf1a28a3fc6
Source of Spectrum ARK-2008-225-16
Wiley ID 1869222