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TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER

View entire compound with spectra: 1 NMR

TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER
SpectraBase Compound ID 408y75UBOA7
InChI InChI=1S/C27H40N2O14/c1-13(30)38-12-19-21(39-14(2)31)22(40-15(3)32)23(41-16(4)33)24(42-19)28-20(35)11-18(34)25(36)29-10-8-9-17(29)26(37)43-27(5,6)7/h17-19,21-24,34H,8-12H2,1-7H3,(H,28,35)/t17?,18-,19-,21-,22+,23-,24-/m1/s1
InChIKey HZWXBAGIOBDNAI-CBHWUHBISA-N
Mol Weight 616.6 g/mol
Molecular Formula C27H40N2O14
Exact Mass 616.247954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmDeTyIIySo
Name TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER
Compound Number 9A/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40N2O14
InChI InChI=1S/C27H40N2O14/c1-13(30)38-12-19-21(39-14(2)31)22(40-15(3)32)23(41-16(4)33)24(42-19)28-20(35)11-18(34)25(36)29-10-8-9-17(29)26(37)43-27(5,6)7/h17-19,21-24,34H,8-12H2,1-7H3,(H,28,35)/t17?,18-,19-,21-,22+,23-,24-/m1/s1
InChIKey HZWXBAGIOBDNAI-CBHWUHBISA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,K.BURGER
Literature Reference Citation MH.CHEM.,135,1225(2004)
Literature Reference DOI 10.1007/s00706-004-0187-5
Molecular Weight 616.620 g/mol
Solvent CDCl3
Source File Reference UWMZ11927