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N-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-5-(2-HYDROXYPHENYL)-7-(4-CHLOROPHENYL)-2,3-DIHYDRO-1,4-DIAZEPINE
SpectraBase Compound ID EmbjaLkA5Nn
InChI InChI=1S/C31H33ClN2O11/c1-17(35)40-16-27-28(41-18(2)36)29(42-19(3)37)30(43-20(4)38)31(44-27)45-34-14-13-33-24(21-9-11-22(32)12-10-21)15-25(34)23-7-5-6-8-26(23)39/h5-12,15,27-31,39H,13-14,16H2,1-4H3/t27-,28+,29+,30-,31+/m1/s1
InChIKey HSFXOPIHQZXDOQ-NBCLCUQJSA-N
Mol Weight 645.1 g/mol
Molecular Formula C31H33ClN2O11
Exact Mass 644.177288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I37Ul13FFel
Name N-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-5-(2-HYDROXYPHENYL)-7-(4-CHLOROPHENYL)-2,3-DIHYDRO-1,4-DIAZEPINE
Compound Number IVA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33ClN2O11
InChI InChI=1S/C31H33ClN2O11/c1-17(35)40-16-27-28(41-18(2)36)29(42-19(3)37)30(43-20(4)38)31(44-27)45-34-14-13-33-24(21-9-11-22(32)12-10-21)15-25(34)23-7-5-6-8-26(23)39/h5-12,15,27-31,39H,13-14,16H2,1-4H3/t27-,28+,29+,30-,31+/m1/s1
InChIKey HSFXOPIHQZXDOQ-NBCLCUQJSA-N
Literature Reference Author M.ZIA-UL-HAQ,S.HAMEED,H.DUDDECK,R.AHMED
Literature Reference Citation TURK.J.CHEM.,26,807(2002)
Molecular Weight 645.063 g/mol
Solvent CDCl3
Source File Reference UWLU5825