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#34;O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-1,2-DI-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDE
SpectraBase Compound ID DqVutuHSRd0
InChI InChI=1S/C42H44O18/c1-41(39(46)49-4)51-21-26-28(59-41)30(48-3)32(55-34(43)23-15-9-6-10-16-23)37(53-26)57-31-29-27(22-52-42(2,60-29)40(47)50-5)54-38(58-36(45)25-19-13-8-14-20-25)33(31)56-35(44)24-17-11-7-12-18-24/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37+,38-,41+,42-/m1/s1
InChIKey DFUSCYYHMULZOG-FSFULVFDSA-N
Mol Weight 836.8 g/mol
Molecular Formula C42H44O18
Exact Mass 836.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XyNSoMx4rv
Name #34;O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-1,2-DI-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O18
InChI InChI=1S/C42H44O18/c1-41(39(46)49-4)51-21-26-28(59-41)30(48-3)32(55-34(43)23-15-9-6-10-16-23)37(53-26)57-31-29-27(22-52-42(2,60-29)40(47)50-5)54-38(58-36(45)25-19-13-8-14-20-25)33(31)56-35(44)24-17-11-7-12-18-24/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37+,38-,41+,42-/m1/s1
InChIKey DFUSCYYHMULZOG-FSFULVFDSA-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 836.801 g/mol
Solvent CDCl3
Source File Reference UWCS20216