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Pentabenzyl glucosamine

View entire compound with spectra: 1 NMR, and 1 FTIR

Pentabenzyl glucosamine
SpectraBase Compound ID 2OkaBZo6ooo
InChI InChI=1S/C41H43NO5/c43-27-38(42-26-33-16-6-1-7-17-33)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-44-28-34-18-8-2-9-19-34/h1-25,27,38-42H,26,28-32H2
InChIKey RFIYQZSRQVARRI-UHFFFAOYSA-N
Mol Weight 629.8 g/mol
Molecular Formula C41H43NO5
Exact Mass 629.314123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVXrPNO2Hkc
Name Pentabenzyl glucosamine
Comments Computed using HOSE algorithm
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Exact Mass 629.314123484 u
Formula C41H43NO5
InChI InChI=1S/C41H43NO5/c43-27-38(42-26-33-16-6-1-7-17-33)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-44-28-34-18-8-2-9-19-34/h1-25,27,38-42H,26,28-32H2
InChIKey RFIYQZSRQVARRI-UHFFFAOYSA-N
Molecular Weight 629.797 g/mol
SMILES C(=O)C(NCC1=CC=CC=C1)C(OCC1=CC=CC=C1)C(C(OCC=1C=CC=CC1)COCC1=CC=CC=C1)OCC1=CC=CC=C1