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7-O-(4-O-ACETYL-2,3,6-TRIDEOXY-2-FLUORO-3-TRIFLUORACETAMIDO-ALPHA-L-TALOPYRANOSE)-CARMINOMYCINONE
SpectraBase Compound ID FVcKbBTOzct
InChI InChI=1S/C30H27F4NO12/c1-9-26(46-11(3)37)21(35-28(43)30(32,33)34)20(31)27(45-9)47-15-8-29(44,10(2)36)7-13-17(15)25(42)19-18(23(13)40)22(39)12-5-4-6-14(38)16(12)24(19)41/h4-6,9,15,20-21,26-27,38,40,42,44H,7-8H2,1-3H3,(H,35,43)/t9-,15+,20+,21-,26+,27-,29+/m0/s1
InChIKey AWKJNZPBZMQLPL-RCIWORLBSA-N
Mol Weight 669.53 g/mol
Molecular Formula C30H27F4NO12
Exact Mass 669.146938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wZsl2gusww
Name 7-O-(4-O-ACETYL-2,3,6-TRIDEOXY-2-FLUORO-3-TRIFLUORACETAMIDO-ALPHA-L-TALOPYRANOSE)-CARMINOMYCINONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H27F4NO12
InChI InChI=1S/C30H27F4NO12/c1-9-26(46-11(3)37)21(35-28(43)30(32,33)34)20(31)27(45-9)47-15-8-29(44,10(2)36)7-13-17(15)25(42)19-18(23(13)40)22(39)12-5-4-6-14(38)16(12)24(19)41/h4-6,9,15,20-21,26-27,38,40,42,44H,7-8H2,1-3H3,(H,35,43)/t9-,15+,20+,21-,26+,27-,29+/m0/s1
InChIKey AWKJNZPBZMQLPL-RCIWORLBSA-N
Literature Reference Author H.H.BAER,F.H.MATEO
Literature Reference Citation CAN.J.CHEM.,68,2055(1990)
Literature Reference DOI 10.1139/v90-314
Molecular Weight 669.537 g/mol
Solvent CDCl3
Source File Reference UWED14837