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1,5-Dimethoxy-4-hydroxy-3-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID AWsjA2S89bk
InChI InChI=1S/C25H24F3NO9/c1-10-20(30)13(29-24(34)25(26,27)28)8-16(38-10)37-9-11-7-15(36-3)18-19(21(11)31)23(33)17-12(22(18)32)5-4-6-14(17)35-2/h4-7,10,13,16,20,30-31H,8-9H2,1-3H3,(H,29,34)/t10-,13-,16+,20+/m0/s1
InChIKey ZNYCAHPKFSYLPG-KBJXQUFJSA-N
Mol Weight 539.46 g/mol
Molecular Formula C25H24F3NO9
Exact Mass 539.140316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bd2C4Y1Ugag
Name 1,5-Dimethoxy-4-hydroxy-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 C25H24F3NO9
InChI InChI=1S/C25H24F3NO9/c1-10-20(30)13(29-24(34)25(26,27)28)8-16(38-10)37-9-11-7-15(36-3)18-19(21(11)31)23(33)17-12(22(18)32)5-4-6-14(17)35-2/h4-7,10,13,16,20,30-31H,8-9H2,1-3H3,(H,29,34)/t10-,13-,16+,20+/m0/s1
InChIKey ZNYCAHPKFSYLPG-KBJXQUFJSA-N
Instrument Name Finnigan MAT 8206
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 539.460 g/mol
Reported Formula C25H24F3NO9
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])OC)=O)OC)=O
SPLASH splash10-0229-1924000000-6832a7b8363198b409c3
Source of Spectrum ARK-2008-225-15
Wiley ID 1869221