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4-[[2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]et

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4-[[2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]et
SpectraBase Compound ID 9utKb8YARmw
InChI InChI=1S/C49H58F17N3O26/c1-19(70)83-14-27-32(88-21(3)72)34(90-23(5)74)36(92-25(7)76)38(94-27)85-16-41(69-30(79)13-68-29(78)9-10-31(80)81,17-86-39-37(93-26(8)77)35(91-24(6)75)33(89-22(4)73)28(95-39)15-84-20(2)71)18-87-40(82)67-12-11-42(50,51)43(52,53)44(54,55)45(56,57)46(58,59)47(60,61)48(62,63)49(64,65)66/h27-28,32-39H,9-18H2,1-8H3,(H,67,82)(H,68,78)(H,69,79)(H,80,81)/t27-,28-,32+,33+,34+,35+,36-,37-,38-,39-/m1/s1
InChIKey WGNPLUCCMOIADJ-HZWHJHGOSA-N
Mol Weight 1428.0 g/mol
Molecular Formula C49H58F17N3O26
Exact Mass 1427.303708 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9rP99ldjjk
Name 4-[[2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]ethyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H58F17N3O26
InChI InChI=1S/C49H58F17N3O26/c1-19(70)83-14-27-32(88-21(3)72)34(90-23(5)74)36(92-25(7)76)38(94-27)85-16-41(69-30(79)13-68-29(78)9-10-31(80)81,17-86-39-37(93-26(8)77)35(91-24(6)75)33(89-22(4)73)28(95-39)15-84-20(2)71)18-87-40(82)67-12-11-42(50,51)43(52,53)44(54,55)45(56,57)46(58,59)47(60,61)48(62,63)49(64,65)66/h27-28,32-39H,9-18H2,1-8H3,(H,67,82)(H,68,78)(H,69,79)(H,80,81)/t27-,28-,32+,33+,34+,35+,36-,37-,38-,39-/m1/s1
InChIKey WGNPLUCCMOIADJ-HZWHJHGOSA-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 UWLU59229