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2-Deoxyribitol

View entire compound with spectra: 1 NMR

2-Deoxyribitol
SpectraBase Compound ID EDzrL53cW9u
InChI InChI=1S/C33H28O8/c34-30(24-13-5-1-6-14-24)38-22-21-28(40-32(36)26-17-9-3-10-18-26)29(41-33(37)27-19-11-4-12-20-27)23-39-31(35)25-15-7-2-8-16-25/h1-20,28-29H,21-23H2
InChIKey QKKOZFXAIQHNNV-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C33H28O8
Exact Mass 552.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4KjHwmkoe9
Name 2-Deoxyribitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.178417854 u
Formula C33H28O8
InChI InChI=1S/C33H28O8/c34-30(24-13-5-1-6-14-24)38-22-21-28(40-32(36)26-17-9-3-10-18-26)29(41-33(37)27-19-11-4-12-20-27)23-39-31(35)25-15-7-2-8-16-25/h1-20,28-29H,21-23H2
InChIKey QKKOZFXAIQHNNV-UHFFFAOYSA-N
Molecular Weight 552.579 g/mol
SMILES C(OC(=O)C1=CC=CC=C1)(C(CCOC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1