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2-TRIFLUOROACETAMIDOETHYL 2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-2,4-DI-O-PARA-NITROBENZOYL-ALPHA-D-XYLOHEXOPYRANOSYL)-BETA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID LSCayS1vJfd
InChI InChI=1S/C44H44F3N3O15/c1-26-34(63-39(51)30-13-17-32(18-14-30)49(54)55)23-35(64-40(52)31-15-19-33(20-16-31)50(56)57)41(61-26)65-37-36(59-24-28-9-5-3-6-10-28)27(2)62-42(58-22-21-48-43(53)44(45,46)47)38(37)60-25-29-11-7-4-8-12-29/h3-20,26-27,34-38,41-42H,21-25H2,1-2H3,(H,48,53)/t26-,27+,34-,35-,36+,37-,38-,41-,42+/m1/s1
InChIKey KFZRNIADYFABBA-JRISSNGFSA-N
Mol Weight 911.8 g/mol
Molecular Formula C44H44F3N3O15
Exact Mass 911.272452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HktF1o7TCkb
Name 2-TRIFLUOROACETAMIDOETHYL 2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-2,4-DI-O-PARA-NITROBENZOYL-ALPHA-D-XYLOHEXOPYRANOSYL)-BETA-L-RHAMNOPYRANOSIDE
Comments N1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H44F3N3O15
InChI InChI=1S/C44H44F3N3O15/c1-26-34(63-39(51)30-13-17-32(18-14-30)49(54)55)23-35(64-40(52)31-15-19-33(20-16-31)50(56)57)41(61-26)65-37-36(59-24-28-9-5-3-6-10-28)27(2)62-42(58-22-21-48-43(53)44(45,46)47)38(37)60-25-29-11-7-4-8-12-29/h3-20,26-27,34-38,41-42H,21-25H2,1-2H3,(H,48,53)/t26-,27+,34-,35-,36+,37-,38-,41-,42+/m1/s1
InChIKey KFZRNIADYFABBA-JRISSNGFSA-N
Instrument Name Bruker WM-250
Literature Reference A.YA.CHERNYAK, I.V.DEMIDOV, I.B.KARMANOVA, N.V.CHERNYAK, N.K.KOCHETKOV (1989)Bioorganich.Khim.(Russ. Lang.): v.15, N1, 111-122.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3