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O-((3aR,4R,6R,7R,7aR)-6-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyl-4-(2-methylprop-1-en-1-yl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) S-methyl carbonodithioate

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

O-((3aR,4R,6R,7R,7aR)-6-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyl-4-(2-methylprop-1-en-1-yl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) S-methyl carbonodithioate
SpectraBase Compound ID 6KGbNsSikcJ
InChI InChI=1S/C31H42O5S2Si/c1-21(2)19-24-27-28(36-31(6,7)35-27)26(34-29(37)38-8)25(33-24)20-32-39(30(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-19,24-28H,20H2,1-8H3/t24-,25-,26-,27-,28+/m1/s1
InChIKey NAZMHYWLZVSAES-FXGKLIOSSA-N
Mol Weight 586.9 g/mol
Molecular Formula C31H42O5S2Si
Exact Mass 586.224293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmYGTMhaRlj
Name o-((3ar,4R,6R,7R,7ar)-6-((Tert-butyldiphenylsilyloxy)methyl)-2,2-dimethyl-4-(2-methylprop-1-en-1-yl)tetrahydro-3ah-[1,3]dioxolo[4,5-C]pyran-7-yl)-S-methyl carbonodithioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.224293330 u
Formula C31H42O5S2Si
InChI InChI=1S/C31H42O5S2Si/c1-21(2)19-24-27-28(36-31(6,7)35-27)26(34-29(37)38-8)25(33-24)20-32-39(30(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-19,24-28H,20H2,1-8H3/t24-,25-,26-,27-,28+/m1/s1
InChIKey NAZMHYWLZVSAES-FXGKLIOSSA-N
Molecular Weight 586.877 g/mol
SMILES [C@@]12([C@@]([C@@](C=C(C)C)(O[C@@]([C@]2(OC(=S)SC)[H])(CO[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)[H])[H])(OC(O1)(C)C)[H])[H]