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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)-12-methoxymethoxy-2,4,8,10,12-pentamethylpentadecan-6-ol

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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)-12-methoxymethoxy-2,4,8,10,12-pentamethylpentadecan-6-ol
SpectraBase Compound ID 9AfRmw2i9xu
InChI InChI=1S/C52H80O10Si/c1-16-44(56-33-39-27-29-40(55-15)30-28-39)52(13,57-34-54-14)48-38(5)45(59-51(11,12)62-48)35(2)31-43(53)47-37(4)46(60-50(9,10)61-47)36(3)32-58-63(49(6,7)8,41-23-19-17-20-24-41)42-25-21-18-22-26-42/h17-30,35-38,43-48,53H,16,31-34H2,1-15H3/t35-,36?,37+,38+,43?,44-,45+,46-,47-,48-,52-/m1/s1
InChIKey LMXIGVRTWLYUHG-MVRMQOJMSA-N
Mol Weight 893.3 g/mol
Molecular Formula C52H80O10Si
Exact Mass 892.552075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23Hg48vVqEk
Name (2R,3S,4S,5R,6R,8R,9S,10S,11R,12R,13R)-3,5:9,11-bis(Isopropylidenedioxy)-1-tert-butyldiphenylsilyloxy-13-(4-methoxybenzyloxy)-12-methoxymethoxy-2,4,8,10,12-pentamethylpentadecan-6-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 892.552075301 u
Formula C52H80O10Si
InChI InChI=1S/C52H80O10Si/c1-16-44(56-33-39-27-29-40(55-15)30-28-39)52(13,57-34-54-14)48-38(5)45(59-51(11,12)62-48)35(2)31-43(53)47-37(4)46(60-50(9,10)61-47)36(3)32-58-63(49(6,7)8,41-23-19-17-20-24-41)42-25-21-18-22-26-42/h17-30,35-38,43-48,53H,16,31-34H2,1-15H3/t35-,36?,37+,38+,43?,44-,45+,46-,47-,48-,52-/m1/s1
InChIKey LMXIGVRTWLYUHG-MVRMQOJMSA-N
Molecular Weight 893.287 g/mol
SMILES [C@]1([C@]([C@]([C@@](CC([C@]2([C@]([C@@](C(CO[Si](C(C)(C)C)(C=3C=CC=CC3)C3=CC=CC=C3)C)(OC(O2)(C)C)[H])(C)[H])[H])O)(C)[H])(OC(O1)(C)C)[H])(C)[H])([C@@]([C@](OCC1=CC=C(C=C1)OC)(CC)[H])(OCOC)C)[H]