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L-Arabinitol, 2,4-dideoxy-4-[[(4-methoxyphenyl)methoxy]methyl]-2-methyl-1-o-(phenylmethyl)-, 5-(4-methylbenzenesulfonate)

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L-Arabinitol, 2,4-dideoxy-4-[[(4-methoxyphenyl)methoxy]methyl]-2-methyl-1-o-(phenylmethyl)-, 5-(4-methylbenzenesulfonate)
SpectraBase Compound ID 7SNMKS8SC1g
InChI InChI=1S/C29H36O7S/c1-22-9-15-28(16-10-22)37(31,32)36-21-26(20-35-19-25-11-13-27(33-3)14-12-25)29(30)23(2)17-34-18-24-7-5-4-6-8-24/h4-16,23,26,29-30H,17-21H2,1-3H3/t23-,26-,29+/m0/s1
InChIKey FEMRPJDZTGFQJT-RSRUXJMGSA-N
Mol Weight 528.7 g/mol
Molecular Formula C29H36O7S
Exact Mass 528.218175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sFwylDgDMC
Name L-Arabinitol, 2,4-dideoxy-4-[[(4-methoxyphenyl)methoxy]methyl]-2-methyl-1-o-(phenylmethyl)-, 5-(4-methylbenzenesulfonate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.218174666 u
Formula C29H36O7S
InChI InChI=1S/C29H36O7S/c1-22-9-15-28(16-10-22)37(31,32)36-21-26(20-35-19-25-11-13-27(33-3)14-12-25)29(30)23(2)17-34-18-24-7-5-4-6-8-24/h4-16,23,26,29-30H,17-21H2,1-3H3/t23-,26-,29+/m0/s1
InChIKey FEMRPJDZTGFQJT-RSRUXJMGSA-N
Molecular Weight 528.660 g/mol
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)[C@@]([C@@]([C@](COCC=1C=CC=CC1)(C)[H])(O)[H])(COCC=1C=CC(=CC1)OC)[H]