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1-Hydroxy-3-methyl-2-[l-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.beta.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID 3bRwOIVATXR
InChI InChI=1S/C24H22F3NO7/c1-10-7-14-18(21(31)13-6-4-3-5-12(13)20(14)30)22(32)15(10)9-34-17-8-16(19(29)11(2)35-17)28-23(33)24(25,26)27/h3-7,11,16-17,19,29,32H,8-9H2,1-2H3,(H,28,33)/t11-,16-,17-,19+/m0/s1
InChIKey IGNSMMOKSNGCHM-MPAAVATJSA-N
Mol Weight 493.44 g/mol
Molecular Formula C24H22F3NO7
Exact Mass 493.134837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrjedBoNNcB
Name 1-Hydroxy-3-methyl-2-[l-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.beta.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F3NO7
InChI InChI=1S/C24H22F3NO7/c1-10-7-14-18(21(31)13-6-4-3-5-12(13)20(14)30)22(32)15(10)9-34-17-8-16(19(29)11(2)35-17)28-23(33)24(25,26)27/h3-7,11,16-17,19,29,32H,8-9H2,1-2H3,(H,28,33)/t11-,16-,17-,19+/m0/s1
InChIKey IGNSMMOKSNGCHM-MPAAVATJSA-N
Instrument Name Finnigan MAT 8209
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 493.435 g/mol
Reported Formula C24H22F3NO7
SMILES Oc1c2C(c3ccccc3C(c2cc(c1CO[C@]1(O[C@]([C@]([C@](C1)(NC(=O)C(F)(F)F)[H])(O)[H])(C)[H])[H])C)=O)=O
SPLASH splash10-0uxr-0090000000-cc0b7e511692b0c9ffb4
Source of Spectrum ARK-2008-226-18
Wiley ID 1869224