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#31;BETA-ISOMER;6-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-4-O-2-PROPENYL-BETA-D-GLUCOPYRANOSYL)-2-O-HEXADECANOYL-1-O-(PARA-METHOXYBENZYL)-3,4,5-TRI-O-BENZYL-MYO-IN
SpectraBase Compound ID ExHUEpOwBvu
InChI InChI=1S/C74H93N3O12/c1-4-6-7-8-9-10-11-12-13-14-15-16-32-43-64(78)88-72-69(84-52-59-39-28-20-29-40-59)68(83-51-58-37-26-19-27-38-58)70(85-53-60-41-30-21-31-42-60)73(71(72)86-54-61-44-46-62(79-3)47-45-61)89-74-65(76-77-75)67(82-50-57-35-24-18-25-36-57)66(81-48-5-2)63(87-74)55-80-49-56-33-22-17-23-34-56/h5,17-31,33-42,44-47,63,65-74H,2,4,6-16,32,43,48-55H2,1,3H3/t63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74+/m1/s1
InChIKey LNDYWFIVZNEXAE-PKSRFBMTSA-N
Mol Weight 1216.6 g/mol
Molecular Formula C74H93N3O12
Exact Mass 1215.675925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7R4gD6lWx3L
Name #31;BETA-ISOMER;6-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-4-O-2-PROPENYL-BETA-D-GLUCOPYRANOSYL)-2-O-HEXADECANOYL-1-O-(PARA-METHOXYBENZYL)-3,4,5-TRI-O-BENZYL-MYO-IN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H93N3O12
InChI InChI=1S/C74H93N3O12/c1-4-6-7-8-9-10-11-12-13-14-15-16-32-43-64(78)88-72-69(84-52-59-39-28-20-29-40-59)68(83-51-58-37-26-19-27-38-58)70(85-53-60-41-30-21-31-42-60)73(71(72)86-54-61-44-46-62(79-3)47-45-61)89-74-65(76-77-75)67(82-50-57-35-24-18-25-36-57)66(81-48-5-2)63(87-74)55-80-49-56-33-22-17-23-34-56/h5,17-31,33-42,44-47,63,65-74H,2,4,6-16,32,43,48-55H2,1,3H3/t63-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74+/m1/s1
InChIKey LNDYWFIVZNEXAE-PKSRFBMTSA-N
Literature Reference Author J.XUE,N.SHAO,Z.GUO
Literature Reference Citation J.ORG.CHEM.,68,4020(2003)
Literature Reference DOI 10.1021/jo034213t
Molecular Weight 1216.565 g/mol
Solvent CDCl3
Source File Reference UWLU23323