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#1;(5R)-5-(CARBOXYMETHYL)-3-{22-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYLURONIC_ACID]-1-HYDROXYDOCOSYLIDENE}-1-METHYL-2,4-PYRROLIDINEDIENE

View entire compound with spectra: 2 NMR

#1;(5R)-5-(CARBOXYMETHYL)-3-{22-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYLURONIC_ACID]-1-HYDROXYDOCOSYLIDENE}-1-METHYL-2,4-PYRROLIDINEDIENE
SpectraBase Compound ID 3dKqcLwCG0f
InChI InChI=1S/C41H69NO17/c1-42-25(23-28(45)46)30(47)29(38(42)53)26(44)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-56-40-35(52)33(50)36(37(59-40)39(54)55)58-41-34(51)32(49)31(48)27(24-43)57-41/h25,27,31-37,40-41,43-44,48-52H,2-24H2,1H3,(H,45,46)(H,54,55)/b29-26+/t25-,27+,31+,32-,33-,34+,35-,36-,37+,40-,41-/m1/s1
InChIKey CJFCEPSLGAUQNN-DFMFRPPOSA-N
Mol Weight 848.0 g/mol
Molecular Formula C41H69NO17
Exact Mass 847.45655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMSHVl5dTDP
Name #1;(5R)-5-(CARBOXYMETHYL)-3-{22-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYLURONIC_ACID]-1-HYDROXYDOCOSYLIDENE}-1-METHYL-2,4-PYRROLIDINEDIENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H69NO17
InChI InChI=1S/C41H69NO17/c1-42-25(23-28(45)46)30(47)29(38(42)53)26(44)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-56-40-35(52)33(50)36(37(59-40)39(54)55)58-41-34(51)32(49)31(48)27(24-43)57-41/h25,27,31-37,40-41,43-44,48-52H,2-24H2,1H3,(H,45,46)(H,54,55)/b29-26+/t25-,27+,31+,32-,33-,34+,35-,36-,37+,40-,41-/m1/s1
InChIKey CJFCEPSLGAUQNN-DFMFRPPOSA-N
Literature Reference Author S.OHTA,E.OHTA,S.IKEGAMI
Literature Reference Citation J.ORG.CHEM.,62,6452(1997)
Literature Reference DOI 10.1021/jo9711201
Molecular Weight 847.995 g/mol
Solvent CD3OD
Source File Reference UWMZ4341