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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

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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZJ3Izb2aoU
Name (3S)-3-{(4S,5S)-5-[(1S)-3-(4-methylbenzenesulfonate)-1-methoxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-3-methoxypropyl 4-methylbenzenesulfonate
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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(c2ccc(cc2)C)(=O)=O)OC)OC)ccc(cc1)C
SPLASH splash10-00dl-9500000000-6d5871e9a140d4cd74eb
Source of Spectrum F-68-3313-5
Wiley ID 1572371