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#17;METHYL-O-[2,3-DI-O-BENZOYL-4,6-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2,4,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 34XyEMVOg61
InChI InChI=1S/C46H46O17/c1-46(45(51)54-4)56-26-32-34(63-46)35(52-2)37(60-41(49)29-21-13-7-14-22-29)44(58-32)62-36-33(59-40(48)28-19-11-6-12-20-28)31(25-55-39(47)27-17-9-5-10-18-27)57-43(53-3)38(36)61-42(50)30-23-15-8-16-24-30/h5-24,31-38,43-44H,25-26H2,1-4H3/t31-,32+,33-,34+,35-,36+,37+,38-,43-,44-,46-/m1/s1
InChIKey SFBICCYZBZZBIB-GWWGDBJFSA-N
Mol Weight 870.9 g/mol
Molecular Formula C46H46O17
Exact Mass 870.2735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyCvh7ThTaK
Name #17;METHYL-O-[2,3-DI-O-BENZOYL-4,6-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2,4,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H46O17
InChI InChI=1S/C46H46O17/c1-46(45(51)54-4)56-26-32-34(63-46)35(52-2)37(60-41(49)29-21-13-7-14-22-29)44(58-32)62-36-33(59-40(48)28-19-11-6-12-20-28)31(25-55-39(47)27-17-9-5-10-18-27)57-43(53-3)38(36)61-42(50)30-23-15-8-16-24-30/h5-24,31-38,43-44H,25-26H2,1-4H3/t31-,32+,33-,34+,35-,36+,37+,38-,43-,44-,46-/m1/s1
InChIKey SFBICCYZBZZBIB-GWWGDBJFSA-N
Literature Reference Author T.ZIEGLER,E.ECKHARDT,V.BIRAULT
Literature Reference Citation J.ORG.CHEM.,58,1090(1993)
Literature Reference DOI 10.1021/jo00057a021
Molecular Weight 870.861 g/mol
Solvent CDCl3
Source File Reference UWCS20203