For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,4-Dihydroxy-2-[O-(2,3,6-trideoxy-3-trifluoroacetamido-.beta.-L-lyxo-hexopyranosyl)methyl]-9,10-anthraquinone
SpectraBase Compound ID EOGrDrjulG2
InChI InChI=1S/C23H20F3NO8/c1-9-18(29)14(27-22(33)23(24,25)26)7-16(35-9)34-8-13-15(28)6-12-17(21(13)32)20(31)11-5-3-2-4-10(11)19(12)30/h2-6,9,14,16,18,28-29,32H,7-8H2,1H3,(H,27,33)/t9-,14-,16-,18+/m0/s1
InChIKey FBWPKFDKYQZYLT-VQPVDTTDSA-N
Mol Weight 495.41 g/mol
Molecular Formula C23H20F3NO8
Exact Mass 495.114101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7QvwCBGW1qm
Name 1,4-Dihydroxy-2-[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 C23H20F3NO8
InChI InChI=1S/C23H20F3NO8/c1-9-18(29)14(27-22(33)23(24,25)26)7-16(35-9)34-8-13-15(28)6-12-17(21(13)32)20(31)11-5-3-2-4-10(11)19(12)30/h2-6,9,14,16,18,28-29,32H,7-8H2,1H3,(H,27,33)/t9-,14-,16-,18+/m0/s1
InChIKey FBWPKFDKYQZYLT-VQPVDTTDSA-N
Instrument Name Finnigan MAT 8210
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e21
Molecular Weight 495.407 g/mol
Reported Formula C29H28F3NO12
SMILES Oc1c2C(c3ccccc3C(c2cc(c1CO[C@]1(O[C@]([C@]([C@](C1)(NC(=O)C(F)(F)F)[H])(O)[H])(C)[H])[H])O)=O)=O
SPLASH splash10-0fk9-0190000000-ce2665164452ebf06dea
Source of Spectrum ARK-2008-226-19
Wiley ID 1869225