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3,5-DI-O-BENZOYL-1,2-O-[1-(EXO-METHOXYCARBONYL)ETHYLIDENE]-6-O-(2,3,5-TRI-O-BENZOYL-6-O-TRITYL-BETA-D-GALACTOFURANOSYL)-ALPHA-D-GALACTOFURANOSE
SpectraBase Compound ID 6apsOxkQXnr
InChI InChI=1S/C70H60O18/c1-69(68(76)77-2)87-60-58(83-64(74)48-33-17-6-18-34-48)55(86-67(60)88-69)53(80-61(71)45-27-11-3-12-28-45)43-78-66-59(84-65(75)49-35-19-7-20-36-49)57(82-63(73)47-31-15-5-16-32-47)56(85-66)54(81-62(72)46-29-13-4-14-30-46)44-79-70(50-37-21-8-22-38-50,51-39-23-9-24-40-51)52-41-25-10-26-42-52/h3-42,53-60,66-67H,43-44H2,1-2H3/t53-,54-,55-,56-,57-,58-,59+,60+,66+,67+,69+/m0/s1
InChIKey ORFHBTCTJUNZNG-YQNBNDDTSA-N
Mol Weight 1189.2 g/mol
Molecular Formula C70H60O18
Exact Mass 1188.377965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AslOb4MQww9
Name 3,5-DI-O-BENZOYL-1,2-O-[1-(EXO-METHOXYCARBONYL)ETHYLIDENE]-6-O-(2,3,5-TRI-O-BENZOYL-6-O-TRITYL-BETA-D-GALACTOFURANOSYL)-ALPHA-D-GALACTOFURANOSE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C70H60O18
InChI InChI=1S/C70H60O18/c1-69(68(76)77-2)87-60-58(83-64(74)48-33-17-6-18-34-48)55(86-67(60)88-69)53(80-61(71)45-27-11-3-12-28-45)43-78-66-59(84-65(75)49-35-19-7-20-36-49)57(82-63(73)47-31-15-5-16-32-47)56(85-66)54(81-62(72)46-29-13-4-14-30-46)44-79-70(50-37-21-8-22-38-50,51-39-23-9-24-40-51)52-41-25-10-26-42-52/h3-42,53-60,66-67H,43-44H2,1-2H3/t53-,54-,55-,56-,57-,58-,59+,60+,66+,67+,69+/m0/s1
InChIKey ORFHBTCTJUNZNG-YQNBNDDTSA-N
Instrument Name Bruker WM-250
Literature Reference S.A.NEPOGOD'EV, L.V.BAKINOVSKY, N.K.KOCHETKOV (1990) Bioorganich.Khim.(Russ.Lang.): v.16, N2, 236-249.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3