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#1A;[6-O-(2-AMINOETHYL-PHOSPHONATO)-ALPHA-D-MANNOPYRANOSYL-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->6)-[(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-(1->4)]-ALPHA-D-M
SpectraBase Compound ID 9lrHQ4zqns6
InChI InChI=1S/C40H73N3O36P2/c1-9(47)43-16-21(52)17(48)10(4-44)70-37(16)75-32-14(7-67-40-35(25(56)18(49)11(5-45)71-40)78-38-29(60)22(53)19(50)13(73-38)8-69-81(65,66)68-3-2-41)74-39(30(61)28(32)59)76-31-12(6-46)72-36(15(42)20(31)51)77-33-26(57)23(54)24(55)27(58)34(33)79-80(62,63)64/h10-40,44-46,48-61H,2-8,41-42H2,1H3,(H,43,47)(H,65,66)(H2,62,63,64)/t10-,11+,12-,13+,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-/m1/s1
InChIKey MUJYEUFVESDGJG-VNHUJNACSA-N
Mol Weight 1234.0 g/mol
Molecular Formula C40H73N3O36P2
Exact Mass 1233.3449 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tqn6mgNRKh
Name #1A;[6-O-(2-AMINOETHYL-PHOSPHONATO)-ALPHA-D-MANNOPYRANOSYL-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->6)-[(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-(1->4)]-ALPHA-D-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H72N3O36P2
InChI InChI=1S/C40H73N3O36P2/c1-9(47)43-16-21(52)17(48)10(4-44)70-37(16)75-32-14(7-67-40-35(25(56)18(49)11(5-45)71-40)78-38-29(60)22(53)19(50)13(73-38)8-69-81(65,66)68-3-2-41)74-39(30(61)28(32)59)76-31-12(6-46)72-36(15(42)20(31)51)77-33-26(57)23(54)24(55)27(58)34(33)79-80(62,63)64/h10-40,44-46,48-61H,2-8,41-42H2,1H3,(H,43,47)(H,65,66)(H2,62,63,64)/t10-,11+,12-,13+,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-/m1/s1
InChIKey MUJYEUFVESDGJG-VNHUJNACSA-N
Literature Reference Author K.PEKARI,D.TAILLER,R.WEINGART,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,66,7432(2001)
Literature Reference DOI 10.1021/jo015840q
Solvent Unknown
Source File Reference UWLU28553