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N-[([Bis(O-A-map)-(1-]3)-(1-]6)-(O-A-map)-(1->6)>-(O-A-map)-(1->3)-(O-B-map))-(1->4)-acglup-(1->4)-acglup>-L-asparagine
SpectraBase Compound ID FQ5YMGbmLaG
InChI InChI=1S/C50H84N4O38/c1-11(60)52-22-29(68)39(17(7-58)82-43(22)54-21(62)3-13(51)44(78)79)89-45-23(53-12(2)61)30(69)40(18(8-59)86-45)90-50-38(77)42(92-49-36(75)33(72)26(65)16(6-57)85-49)28(67)20(88-50)10-81-47-37(76)41(91-48-35(74)32(71)25(64)15(5-56)84-48)27(66)19(87-47)9-80-46-34(73)31(70)24(63)14(4-55)83-46/h13-20,22-43,45-50,55-59,63-77H,3-10,51H2,1-2H3,(H,52,60)(H,53,61)(H,54,62)(H,78,79)
InChIKey TYCJIEQLYQJRRV-UHFFFAOYSA-N
Mol Weight 1349.2 g/mol
Molecular Formula C50H84N4O38
Exact Mass 1348.476354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZEEWE0ecdX
Name N-[([Bis(O-A-map)-(1-]3)-(1-]6)-(O-A-map)-(1->6)>-(O-A-map)-(1->3)-(O-B-map))-(1->4)-acglup-(1->4)-acglup>-L-asparagine
CAS Registry Number 38784-68-8
Comments MAP:D-MANNOPYRANOSYL,ACGLUP:O-2-ACETAMINO-BETA-D-GLUCOPYRANOSYL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C50H84N4O38
InChI InChI=1S/C50H84N4O38/c1-11(60)52-22-29(68)39(17(7-58)82-43(22)54-21(62)3-13(51)44(78)79)89-45-23(53-12(2)61)30(69)40(18(8-59)86-45)90-50-38(77)42(92-49-36(75)33(72)26(65)16(6-57)85-49)28(67)20(88-50)10-81-47-37(76)41(91-48-35(74)32(71)25(64)15(5-56)84-48)27(66)19(87-47)9-80-46-34(73)31(70)24(63)14(4-55)83-46/h13-20,22-43,45-50,55-59,63-77H,3-10,51H2,1-2H3,(H,52,60)(H,53,61)(H,54,62)(H,78,79)
InChIKey TYCJIEQLYQJRRV-UHFFFAOYSA-N
Instrument Name Special
Literature Reference A. Allerhand, E. Berman, J. Am. Chem. Soc. 106, 2412 (1984).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O