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2-{[(4E,2R,6S,7S,8S)-8-{[(1,1-dimethylethyl)dimethylsilyl]-oxy}-7-methoxy-2,4,6-trimethylnon-4-enyl]sulfonyl}benzothiazole
SpectraBase Compound ID AzEvPAmJi5G
InChI InChI=1S/C26H43NO4S2Si/c1-18(16-20(3)24(30-8)21(4)31-34(9,10)26(5,6)7)15-19(2)17-33(28,29)25-27-22-13-11-12-14-23(22)32-25/h11-14,16,19-21,24H,15,17H2,1-10H3/b18-16+/t19-,20+,21+,24+/m1/s1
InChIKey KJWAUKJZAYDFPM-QKRNOXSHSA-N
Mol Weight 525.8 g/mol
Molecular Formula C26H43NO4S2Si
Exact Mass 525.240278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID w8PoYKJLyT
Name 2-{[(4E,2R,6S,7S,8S)-8-{[(1,1-dimethylethyl)dimethylsilyl]-oxy}-7-methoxy-2,4,6-trimethylnon-4-enyl]sulfonyl}benzothiazole
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Formula C26H43NO4S2Si
InChI InChI=1S/C26H43NO4S2Si/c1-18(16-20(3)24(30-8)21(4)31-34(9,10)26(5,6)7)15-19(2)17-33(28,29)25-27-22-13-11-12-14-23(22)32-25/h11-14,16,19-21,24H,15,17H2,1-10H3/b18-16+/t19-,20+,21+,24+/m1/s1
InChIKey KJWAUKJZAYDFPM-QKRNOXSHSA-N
Molecular Weight 525.838 g/mol
SMILES c1(S(C[C@@](C\C(=C\[C@@]([C@@]([C@@](O[Si](C(C)(C)C)(C)C)(C)[H])(OC)[H])(C)[H])C)(C)[H])(=O)=O)nc2ccccc2s1
SPLASH splash10-0fk9-8093400000-ff72c15d99c350637997
Source of Spectrum SO-0-660-3
Synonyms 1,3-benzothiazol-2-yl (2R,4E,6S,7S,8S)-8-{[tert-butyl(dimethyl)silyl]oxy}-7-methoxy-2,4,6-trimethyl-4-nonenyl sulfone 2-[((2R,4E,6S,7S,8S)-8-{[tert-butyl(dimethyl)silyl]oxy}-7-methoxy-2,4,6-trimethyl-4-nonenyl)sulfonyl]-1,3-benzothiazole [(E,2S,3S,4S,8R)-9-(1,3-benzothiazol-2-ylsulfonyl)-3-methoxy-4,6,8-trimethylnon-5-en-2-yl]oxy-tert-butyl-dimethylsilane [(E,2S,3S,4S,8R)-9-(1,3-benzothiazol-2-ylsulfonyl)-3-methoxy-4,6,8-trimethyl-non-5-en-2-yl]oxy-tert-butyl-dimethyl-silane
Wiley ID 873641