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METHYL 4-O-ACETYL-3-O-TRITYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
SpectraBase Compound ID Hs3dFieagal
InChI InChI=1S/C31H29NO8/c1-20(33)36-24-25(27-29(37-26(24)28(34)35-3)40-30(2,19-32)38-27)39-31(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-27,29H,1-3H3/t24-,25-,26-,27+,29+,30+/m0/s1
InChIKey HOFXKPHNDFXLSC-PQFBZJLDSA-N
Mol Weight 543.57 g/mol
Molecular Formula C31H29NO8
Exact Mass 543.189317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0QVLR9JYJu
Name METHYL 4-O-ACETYL-3-O-TRITYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
Comments ^1
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Formula C31H29NO8
InChI InChI=1S/C31H29NO8/c1-20(33)36-24-25(27-29(37-26(24)28(34)35-3)40-30(2,19-32)38-27)39-31(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-27,29H,1-3H3/t24-,25-,26-,27+,29+,30+/m0/s1
InChIKey HOFXKPHNDFXLSC-PQFBZJLDSA-N
Instrument Name Bruker WP-60
Literature Reference V.I.BETANELI, M.M.LITVAK, M.I.STRUCHKOVA, L.V.BAKINOVSKY, N.K.KOCHETKOV (1983)Bioorganich.Khim.(Russ. Lang.): v.9, N1, 87-103.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3