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Trifloroside

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Trifloroside
SpectraBase Compound ID 4bU1VtO1nKI
InChI InChI=1S/C35H42O20/c1-5-17-18-9-10-46-31(44)20(18)12-48-33(17)55-35-30(50-16(4)39)29(49-15(3)38)28(23(53-35)13-47-14(2)37)54-32(45)19-7-6-8-21(24(19)40)51-34-27(43)26(42)25(41)22(11-36)52-34/h5-8,12,17-18,22-23,25-30,33-36,40-43H,1,9-11,13H2,2-4H3
InChIKey RMBMLYUFYBZPCX-UHFFFAOYSA-N
Mol Weight 782.7 g/mol
Molecular Formula C35H42O20
Exact Mass 782.226944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FulqopWmo2k
Name Trifloroside
Comments 169.21-170.42 PPM (C34,17,19), 20.49-20.56 PPM (C18,20,35)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H42O20
InChI InChI=1S/C35H42O20/c1-5-17-18-9-10-46-31(44)20(18)12-48-33(17)55-35-30(50-16(4)39)29(49-15(3)38)28(23(53-35)13-47-14(2)37)54-32(45)19-7-6-8-21(24(19)40)51-34-27(43)26(42)25(41)22(11-36)52-34/h5-8,12,17-18,22-23,25-30,33-36,40-43H,1,9-11,13H2,2-4H3
InChIKey RMBMLYUFYBZPCX-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference Y. Ikeshiro, Y. Tomita, Planta Medica 48, 169 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3