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#26;3-[(BENZYLOXYCARBONYL)-AMINO]-PROPYL-3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D
SpectraBase Compound ID Iq8YzwWP1e1
InChI InChI=1S/C54H67NO28/c1-27(56)68-24-38-41(72-30(4)59)44(75-33(7)62)47(51(78-38)67-22-16-21-55-54(66)71-23-36-17-12-10-13-18-36)83-53-49(81-50(65)37-19-14-11-15-20-37)46(43(74-32(6)61)40(80-53)26-70-29(3)58)82-52-48(77-35(9)64)45(76-34(8)63)42(73-31(5)60)39(79-52)25-69-28(2)57/h10-15,17-20,38-49,51-53H,16,21-26H2,1-9H3,(H,55,66)/t38-,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,51+,52+,53+/m0/s1
InChIKey CQROBLXBZLJHHD-ZWWTYLJISA-N
Mol Weight 1178.1 g/mol
Molecular Formula C54H67NO28
Exact Mass 1177.38496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1biaoKjfcbt
Name #26;3-[(BENZYLOXYCARBONYL)-AMINO]-PROPYL-3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H67NO28
InChI InChI=1S/C54H67NO28/c1-27(56)68-24-38-41(72-30(4)59)44(75-33(7)62)47(51(78-38)67-22-16-21-55-54(66)71-23-36-17-12-10-13-18-36)83-53-49(81-50(65)37-19-14-11-15-20-37)46(43(74-32(6)61)40(80-53)26-70-29(3)58)82-52-48(77-35(9)64)45(76-34(8)63)42(73-31(5)60)39(79-52)25-69-28(2)57/h10-15,17-20,38-49,51-53H,16,21-26H2,1-9H3,(H,55,66)/t38-,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,51+,52+,53+/m0/s1
InChIKey CQROBLXBZLJHHD-ZWWTYLJISA-N
Literature Reference Author C.CARPENTER,S.A.NEPOGODIEV
Literature Reference Citation EUR.J.ORG.CHEM.,3286(2005)
Molecular Weight 1178.116 g/mol
Sample ID 30066
Solvent CDCl3