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(E)-(2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis{[Tert-butyl(dimethyl)silyl]oxy}-3-methoxy-11-hydroxy-4,6,8,10-tetramethyl-5-[(triethylsilyl)oxy]dodec-8-enoic acid methyl ester

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(E)-(2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis{[Tert-butyl(dimethyl)silyl]oxy}-3-methoxy-11-hydroxy-4,6,8,10-tetramethyl-5-[(triethylsilyl)oxy]dodec-8-enoic acid methyl ester
SpectraBase Compound ID tWdQOC4Cm5
InChI InChI=1S/C36H76O7Si3/c1-21-46(22-2,23-3)43-31(28(7)32(39-15)33(34(38)40-16)42-45(19,20)36(12,13)14)27(6)30(26(5)24-25(4)29(8)37)41-44(17,18)35(9,10)11/h24-25,27-33,37H,21-23H2,1-20H3/b26-24+/t25-,27+,28+,29-,30-,31-,32-,33+/m0/s1
InChIKey QRZVFEFMICMZNJ-TVWJHVEZSA-N
Mol Weight 705.3 g/mol
Molecular Formula C36H76O7Si3
Exact Mass 704.489884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIXuqyTDnuo
Name (E)-(2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis{[Tert-butyl(dimethyl)silyl]oxy}-3-methoxy-11-hydroxy-4,6,8,10-tetramethyl-5-[(triethylsilyl)oxy]dodec-8-enoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 704.489884385 u
Formula C36H76O7Si3
InChI InChI=1S/C36H76O7Si3/c1-21-46(22-2,23-3)43-31(28(7)32(39-15)33(34(38)40-16)42-45(19,20)36(12,13)14)27(6)30(26(5)24-25(4)29(8)37)41-44(17,18)35(9,10)11/h24-25,27-33,37H,21-23H2,1-20H3/b26-24+/t25-,27+,28+,29-,30-,31-,32-,33+/m0/s1
InChIKey QRZVFEFMICMZNJ-TVWJHVEZSA-N
SMILES C([C@@]([C@]([C@@]([C@]([C@@]([C@](\C(=C\[C@@]([C@](C)(O)[H])(C)[H])C)(O[Si](C)(C)C(C)(C)C)[H])(C)[H])(O[Si](CC)(CC)CC)[H])(C)[H])(OC)[H])(O[Si](C)(C)C(C)(C)C)[H])(=O)OC