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1-Hydroxy-8-methoxy-2-[1-O-(2',3',6'-trideoxy-3'-trifluoroacetamido-.alpha.-L-lyxo-hexopyranosyl)-methyl]-9,10-anthraquinone
SpectraBase Compound ID Id4KaZw9RE2
InChI InChI=1S/C24H22F3NO8/c1-10-19(29)14(28-23(33)24(25,26)27)8-16(36-10)35-9-11-6-7-13-18(20(11)30)22(32)17-12(21(13)31)4-3-5-15(17)34-2/h3-7,10,14,16,19,29-30H,8-9H2,1-2H3,(H,28,33)/t10-,14-,16+,19+/m0/s1
InChIKey UMXQBEHHOHORHE-KDQHKPEOSA-N
Mol Weight 509.43 g/mol
Molecular Formula C24H22F3NO8
Exact Mass 509.129751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 312UIqoDC1e
Name 1-Hydroxy-8-methoxy-2-[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 C24H22F3NO8
InChI InChI=1S/C24H22F3NO8/c1-10-19(29)14(28-23(33)24(25,26)27)8-16(36-10)35-9-11-6-7-13-18(20(11)30)22(32)17-12(21(13)31)4-3-5-15(17)34-2/h3-7,10,14,16,19,29-30H,8-9H2,1-2H3,(H,28,33)/t10-,14-,16+,19+/m0/s1
InChIKey UMXQBEHHOHORHE-KDQHKPEOSA-N
Instrument Name Finnigan MAT 8204
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 509.434 g/mol
Reported Formula C24H22F3NO8
SMILES Oc1c2c(ccc1CO[C@@]1(O[C@]([C@]([C@](C1)(NC(C(F)(F)F)=O)[H])(O)[H])(C)[H])[H])C(c1c(C2=O)c(ccc1)OC)=O
SPLASH splash10-0159-0190000000-c775c114d7eb8c4862d0
Source of Spectrum ARK-2008-224-13
Wiley ID 1869219