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(3S)-3-{(4S,5S)-5-[(1S)-3-(4-methylbenzenesulfonate)-1-methoxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-3-methoxypropyl 4-methylbenzenesulfonate

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

(3S)-3-{(4S,5S)-5-[(1S)-3-(4-methylbenzenesulfonate)-1-methoxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-3-methoxypropyl 4-methylbenzenesulfonate
SpectraBase Compound ID HkUJIG2Urxp
InChI InChI=1S/C27H38O10S2/c1-19-7-11-21(12-8-19)38(28,29)34-17-15-23(32-5)25-26(37-27(3,4)36-25)24(33-6)16-18-35-39(30,31)22-13-9-20(2)10-14-22/h7-14,23-26H,15-18H2,1-6H3
InChIKey VAUBAZRFYFQPCH-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C27H38O10S2
Exact Mass 586.19064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdHMU9OpDsT
Name (3S)-3-{(4S,5S)-5-[(1S)-3-(4-Methylbenzenesulfonate)-1-methoxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-3-methoxypropyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.190639762 u
Formula C27H38O10S2
InChI InChI=1S/C27H38O10S2/c1-19-7-11-21(12-8-19)38(28,29)34-17-15-23(32-5)25-26(37-27(3,4)36-25)24(33-6)16-18-35-39(30,31)22-13-9-20(2)10-14-22/h7-14,23-26H,15-18H2,1-6H3
InChIKey VAUBAZRFYFQPCH-UHFFFAOYSA-N
Molecular Weight 586.711 g/mol
SMILES C1(S(=O)(=O)OCCC(C2C(OC(O2)(C)C)C(CCOS(C=2C=CC(=CC2)C)(=O)=O)OC)OC)=CC=C(C=C1)C