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(2R,3S,4S,5R,6R,8R,9S,10S,11R,12R,13R)-3,5:9,11-Bis(isopropylidenedioxy)-1-tert-butyldiphenylsilyloxy-13-(4-methoxybenzyloxy)-6,12-bis(methoxymethoxy)-2,4,6,8,10,12-hexamethylpentadecan-1-ol

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

(2R,3S,4S,5R,6R,8R,9S,10S,11R,12R,13R)-3,5:9,11-Bis(isopropylidenedioxy)-1-tert-butyldiphenylsilyloxy-13-(4-methoxybenzyloxy)-6,12-bis(methoxymethoxy)-2,4,6,8,10,12-hexamethylpentadecan-1-ol
SpectraBase Compound ID K5zjWIUhemB
InChI InChI=1S/C55H86O12Si/c1-18-45(60-34-41-29-31-42(59-17)32-30-41)55(14,62-36-58-16)49-38(3)46(63-52(9,10)66-49)37(2)33-54(13,61-35-57-15)48-39(4)47(64-53(11,12)65-48)40(5)50(56)67-68(51(6,7)8,43-25-21-19-22-26-43)44-27-23-20-24-28-44/h19-32,37-40,45-50,56H,18,33-36H2,1-17H3/t37-,38+,39+,40-,45-,46+,47+,48-,49-,50?,54-,55+/m1/s1
InChIKey CCXMSQGBDZACOO-CWIFDJQTSA-N
Mol Weight 967.4 g/mol
Molecular Formula C55H86O12Si
Exact Mass 966.588855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wMTUO3xuQo
Name (2R,3S,4S,5R,6R,8R,9S,10S,11R,12R,13R)-3,5:9,11-bis(Isopropylidenedioxy)-1-tert-butyldiphenylsilyloxy-13-(4-methoxybenzyloxy)-6,12-bis(methoxymethoxy)-2,4,6,8,10,12-hexamethylpentadecan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 966.588854732 u
Formula C55H86O12Si
InChI InChI=1S/C55H86O12Si/c1-18-45(60-34-41-29-31-42(59-17)32-30-41)55(14,62-36-58-16)49-38(3)46(63-52(9,10)66-49)37(2)33-54(13,61-35-57-15)48-39(4)47(64-53(11,12)65-48)40(5)50(56)67-68(51(6,7)8,43-25-21-19-22-26-43)44-27-23-20-24-28-44/h19-32,37-40,45-50,56H,18,33-36H2,1-17H3/t37-,38+,39+,40-,45-,46+,47+,48-,49-,50?,54-,55+/m1/s1
InChIKey CCXMSQGBDZACOO-CWIFDJQTSA-N
Molecular Weight 967.366 g/mol
SMILES [C@]1([C@]([C@]([C@@](C[C@]([C@]2([C@]([C@@]([C@](C(O[Si](C(C)(C)C)(C3=CC=CC=C3)C=3C=CC=CC3)O)(C)[H])(OC(O2)(C)C)[H])(C)[H])[H])(OCOC)C)(C)[H])(OC(O1)(C)C)[H])(C)[H])([C@]([C@](OCC=1C=CC(=CC1)OC)(CC)[H])(OCOC)C)[H]