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TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-ETHYL}-GLYCYL-N-ISOBUTYLGLYCINTE;MAJOR_ISOMER

View entire compound with spectra: 2 NMR

TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-ETHYL}-GLYCYL-N-ISOBUTYLGLYCINTE;MAJOR_ISOMER
SpectraBase Compound ID 2QGcBkPlh8u
InChI InChI=1S/C28H45N3O13/c1-15(2)12-31(13-23(38)44-28(7,8)9)22(37)11-29-10-21(36)30-27-26(42-19(6)35)25(41-18(5)34)24(40-17(4)33)20(43-27)14-39-16(3)32/h15,20,24-27,29H,10-14H2,1-9H3,(H,30,36)/t20-,24+,25+,26-,27-/m1/s1
InChIKey INTGIGHKJJHHAZ-KPZQWKJOSA-N
Mol Weight 631.7 g/mol
Molecular Formula C28H45N3O13
Exact Mass 631.295239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68G6C08FQJD
Name TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-AMINO]-ETHYL}-GLYCYL-N-ISOBUTYLGLYCINTE;MINOR_ISOMER
Compound Number 5C/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45N3O13
InChI InChI=1S/C28H45N3O13/c1-15(2)12-31(13-23(38)44-28(7,8)9)22(37)11-29-10-21(36)30-27-26(42-19(6)35)25(41-18(5)34)24(40-17(4)33)20(43-27)14-39-16(3)32/h15,20,24-27,29H,10-14H2,1-9H3,(H,30,36)/t20-,24+,25+,26-,27-/m1/s1
InChIKey INTGIGHKJJHHAZ-KPZQWKJOSA-N
Literature Reference Author K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY
Literature Reference Citation MH.CHEM.,135,865(2004)
Molecular Weight 631.678 g/mol
Solvent CDCl3
Source File Reference UWMZ12025