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#45;ALPHA-D-MANNOPYRANOSYL-(1->2)-[6-O-[AMINOETHYL-PHOSPHONATO)-ALPHA-D-MANNOPYRANOSYL]-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->6)-[(2-ACETAMIDO-2-DEOXY-BETA-D-GALAC
SpectraBase Compound ID OLAahsdVg8
InChI InChI=1S/C58H105N4O48P3/c1-18(67)61-25-31(72)27(68)19(12-63)96-49(25)102-43-24(16-92-52-46(36(77)29(70)21(14-65)98-52)106-53-47(105-51-40(81)33(74)28(69)20(13-64)97-51)37(78)30(71)23(100-53)17-95-112(88,89)93-10-8-59)101-54(48(41(43)82)110-113(90,91)94-11-9-60-55(83)107-57(2,3)4)103-42-22(15-66)99-50(26(32(42)73)62-56(84)108-58(5,6)7)104-44-38(79)34(75)35(76)39(80)45(44)109-111(85,86)87/h19-54,63-66,68-82H,8-17,59H2,1-7H3,(H,60,83)(H,61,67)(H,62,84)(H,88,89)(H,90,91)(H2,85,86,87)/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48-,49+,50+,51-,52-,53-,54+/m0/s1
InChIKey WKRIJYAJGRKQOE-ZMXGDSBYSA-N
Mol Weight 1719.4 g/mol
Molecular Formula C58H105N4O48P3
Exact Mass 1718.511112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iun1suIzJgt
Name #45;ALPHA-D-MANNOPYRANOSYL-(1->2)-[6-O-[AMINOETHYL-PHOSPHONATO)-ALPHA-D-MANNOPYRANOSYL]-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->6)-[(2-ACETAMIDO-2-DEOXY-BETA-D-GALAC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H102N4O48P3
InChI InChI=1S/C58H105N4O48P3/c1-18(67)61-25-31(72)27(68)19(12-63)96-49(25)102-43-24(16-92-52-46(36(77)29(70)21(14-65)98-52)106-53-47(105-51-40(81)33(74)28(69)20(13-64)97-51)37(78)30(71)23(100-53)17-95-112(88,89)93-10-8-59)101-54(48(41(43)82)110-113(90,91)94-11-9-60-55(83)107-57(2,3)4)103-42-22(15-66)99-50(26(32(42)73)62-56(84)108-58(5,6)7)104-44-38(79)34(75)35(76)39(80)45(44)109-111(85,86)87/h19-54,63-66,68-82H,8-17,59H2,1-7H3,(H,60,83)(H,61,67)(H,62,84)(H,88,89)(H,90,91)(H2,85,86,87)/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48-,49+,50+,51-,52-,53-,54+/m0/s1
InChIKey WKRIJYAJGRKQOE-ZMXGDSBYSA-N
Literature Reference Author K.PEKARI,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,68,1295(2003)
Literature Reference DOI 10.1021/jo026380j
Molecular Weight 1716.367 g/mol
Solvent Unknown
Source File Reference UWVN25527