John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=E1SCVws9m6J SpectraBase Spectrum ID=BzsI7eoeqdn

(accessed ).
PENTACYCLO(2-O-ACETYL-5,6-DI-O-BENZOYL-BETA-D-GALACTOFURANOSYL[1->3])
SpectraBase Compound ID E1SCVws9m6J
InChI InChI=1S/C110H100O40/c1-61(111)131-91-86-81(76(136-101(121)71-46-26-11-27-47-71)56-126-96(116)66-36-16-6-17-37-66)141-106(91)147-87-82(77(137-102(122)72-48-28-12-29-49-72)57-127-97(117)67-38-18-7-19-39-67)143-108(92(87)132-62(2)112)149-89-84(79(139-104(124)74-52-32-14-33-53-74)59-129-99(119)69-42-22-9-23-43-69)145-110(94(89)134-64(4)114)150-90-85(80(140-105(125)75-54-34-15-35-55-75)60-130-100(120)70-44-24-10-25-45-70)144-109(95(90)135-65(5)115)148-88-83(142-107(146-86)93(88)133-63(3)113)78(138-103(123)73-50-30-13-31-51-73)58-128-98(118)68-40-20-8-21-41-68/h6-55,76-95,106-110H,56-60H2,1-5H3/t76-,77-,78-,79?,80?,81-,82-,83-,84+,85+,86-,87-,88-,89-,90+,91+,92+,93+,94-,95-,106-,107-,108-,109+,110+/m0/s1
InChIKey IVBLXSFBAHPAPZ-WOYDCVKNSA-N
Mol Weight 2062.0 g/mol
Molecular Formula C110H100O40
Exact Mass 2060.579089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzsI7eoeqdn
Name PENTACYCLO(2-O-ACETYL-5,6-DI-O-BENZOYL-BETA-D-GALACTOFURANOSYL[1->3])
Comments C
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C110H100O40
InChI InChI=1S/C110H100O40/c1-61(111)131-91-86-81(76(136-101(121)71-46-26-11-27-47-71)56-126-96(116)66-36-16-6-17-37-66)141-106(91)147-87-82(77(137-102(122)72-48-28-12-29-49-72)57-127-97(117)67-38-18-7-19-39-67)143-108(92(87)132-62(2)112)149-89-84(79(139-104(124)74-52-32-14-33-53-74)59-129-99(119)69-42-22-9-23-43-69)145-110(94(89)134-64(4)114)150-90-85(80(140-105(125)75-54-34-15-35-55-75)60-130-100(120)70-44-24-10-25-45-70)144-109(95(90)135-65(5)115)148-88-83(142-107(146-86)93(88)133-63(3)113)78(138-103(123)73-50-30-13-31-51-73)58-128-98(118)68-40-20-8-21-41-68/h6-55,76-95,106-110H,56-60H2,1-5H3/t76-,77-,78-,79?,80?,81-,82-,83-,84+,85+,86-,87-,88-,89-,90+,91+,92+,93+,94-,95-,106-,107-,108-,109+,110+/m0/s1
InChIKey IVBLXSFBAHPAPZ-WOYDCVKNSA-N
Instrument Name Bruker AM-300
Literature Reference L.V.BAKINOVSKY, S.A.NEPOGOD'EV, N.K.KOCHETKOV (1988) Bioorganich.Khim.(Russ.Lang.): v.14, N8, 1122-1124.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported
SpectraBase Batch ID BuJnXJzNdlK