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(1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-o-benzyl-2-carboxyamino-1-hydroxymethyl-3, 4, 5-cyclopentantriol(intramolekularer 2,1-ester)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-o-benzyl-2-carboxyamino-1-hydroxymethyl-3, 4, 5-cyclopentantriol(intramolekularer 2,1-ester)
SpectraBase Compound ID dsnRIZygyB
InChI InChI=1S/C28H29NO5/c30-28-29-24-23(19-34-28)25(31-16-20-10-4-1-5-11-20)27(33-18-22-14-8-3-9-15-22)26(24)32-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2,(H,29,30)/t23-,24+,25+,26-,27-/m0/s1
InChIKey PLNJKRHSCGVDBL-VQHLWIOESA-N
Mol Weight 459.54 g/mol
Molecular Formula C28H29NO5
Exact Mass 459.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWQGp1b72u8
Name (1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-o-benzyl-2-carboxyamino-1-hydroxymethyl-3, 4, 5-cyclopentantriol(intramolekularer 2,1-ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.204573033 u
Formula C28H29NO5
InChI InChI=1S/C28H29NO5/c30-28-29-24-23(19-34-28)25(31-16-20-10-4-1-5-11-20)27(33-18-22-14-8-3-9-15-22)26(24)32-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2,(H,29,30)/t23-,24+,25+,26-,27-/m0/s1
InChIKey PLNJKRHSCGVDBL-VQHLWIOESA-N
Molecular Weight 459.542 g/mol
SMILES [C@]12([C@@]([C@@](OCC3=CC=CC=C3)([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])[H])(COC(N2)=O)[H])[H]