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#1C;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 CZgb99G5gD4
InChI InChI=1S/C48H89N4O44P3/c1-12(57)52-20-26(63)21(58)13(6-53)84-44(20)90-37-18(89-48(42(35(37)72)96-99(78,79)82-5-3-50)91-36-16(9-56)87-43(19(51)25(36)62)92-38-32(69)28(65)29(66)33(70)39(38)95-97(73,74)75)10-80-46-40(30(67)23(60)15(8-55)86-46)94-47-41(93-45-34(71)27(64)22(59)14(7-54)85-45)31(68)24(61)17(88-47)11-83-98(76,77)81-4-2-49/h13-48,53-56,58-72H,2-11,49-51H2,1H3,(H,52,57)(H,76,77)(H,78,79)(H2,73,74,75)/t13-,14+,15+,16+,17+,18+,19+,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+/m0/s1
InChIKey UYXVASOKQYSUOM-RBCRWQSGSA-N
Mol Weight 1519.1 g/mol
Molecular Formula C48H89N4O44P3
Exact Mass 1518.406253 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMr3zOQyEpP
Name #1C;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 C48H88N4O44P3
InChI InChI=1S/C48H89N4O44P3/c1-12(57)52-20-26(63)21(58)13(6-53)84-44(20)90-37-18(89-48(42(35(37)72)96-99(78,79)82-5-3-50)91-36-16(9-56)87-43(19(51)25(36)62)92-38-32(69)28(65)29(66)33(70)39(38)95-97(73,74)75)10-80-46-40(30(67)23(60)15(8-55)86-46)94-47-41(93-45-34(71)27(64)22(59)14(7-54)85-45)31(68)24(61)17(88-47)11-83-98(76,77)81-4-2-49/h13-48,53-56,58-72H,2-11,49-51H2,1H3,(H,52,57)(H,76,77)(H,78,79)(H2,73,74,75)/t13-,14+,15+,16+,17+,18+,19+,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+/m0/s1
InChIKey UYXVASOKQYSUOM-RBCRWQSGSA-N
Literature Reference Author K.PEKARI,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,68,1295(2003)
Literature Reference DOI 10.1021/jo026380j
Solvent CDCl3
Source File Reference UWVN25526