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acetic acid [(2R,3S,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[[2-[[4-[[4-(1,3-dioxolan-2-yl)benzyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-t

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acetic acid [(2R,3S,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[[2-[[4-[[4-(1,3-dioxolan-2-yl)benzyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-t
SpectraBase Compound ID 9iTeW9CV27L
InChI InChI=1S/C59H69F17N4O27/c1-26(81)95-21-36-41(100-28(3)83)43(102-30(5)85)45(104-32(7)87)48(106-36)97-23-51(24-98-49-46(105-33(8)88)44(103-31(6)86)42(101-29(4)84)37(107-49)22-96-27(2)82,80-40(91)20-79-39(90)14-13-38(89)78-19-34-9-11-35(12-10-34)47-93-17-18-94-47)25-99-50(92)77-16-15-52(60,61)53(62,63)54(64,65)55(66,67)56(68,69)57(70,71)58(72,73)59(74,75)76/h9-12,36-37,41-49H,13-25H2,1-8H3,(H,77,92)(H,78,89)(H,79,90)(H,80,91)/t36-,37-,41+,42+,43+,44+,45-,46-,48-,49-/m1/s1
InChIKey WUQGYSUSSGTFJU-PQAXDJQTSA-N
Mol Weight 1589.2 g/mol
Molecular Formula C59H69F17N4O27
Exact Mass 1588.387772 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yfiZLGF3os
Name acetic acid [(2R,3S,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[[2-[[4-[[4-(1,3-dioxolan-2-yl)benzyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-propoxy]tetrahydropyran-4-yl] ester
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H69F17N4O27
InChI InChI=1S/C59H69F17N4O27/c1-26(81)95-21-36-41(100-28(3)83)43(102-30(5)85)45(104-32(7)87)48(106-36)97-23-51(24-98-49-46(105-33(8)88)44(103-31(6)86)42(101-29(4)84)37(107-49)22-96-27(2)82,80-40(91)20-79-39(90)14-13-38(89)78-19-34-9-11-35(12-10-34)47-93-17-18-94-47)25-99-50(92)77-16-15-52(60,61)53(62,63)54(64,65)55(66,67)56(68,69)57(70,71)58(72,73)59(74,75)76/h9-12,36-37,41-49H,13-25H2,1-8H3,(H,77,92)(H,78,89)(H,79,90)(H,80,91)/t36-,37-,41+,42+,43+,44+,45-,46-,48-,49-/m1/s1
InChIKey WUQGYSUSSGTFJU-PQAXDJQTSA-N
Literature Reference Author O.OUARI,A.POLIDORI,B.PUCCI,P.TORDO,F.CHALIER
Literature Reference Citation J.ORG.CHEM.,64,3554(1999)
Literature Reference DOI 10.1021/jo982343+
Solvent CDCl3
Source File Reference UWLU59232