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(2S,3S,4aS,5S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-[(1E,3E)-octa-1,3-dienyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 6ThF7XxCPlw
InChI InChI=1S/C29H53NO3Si/c1-11-12-13-14-15-16-18-23-19-17-20-25-24(23)21-26(33-34(9,10)29(6,7)8)22(2)30(25)27(31)32-28(3,4)5/h14-16,18,22-26H,11-13,17,19-21H2,1-10H3/b15-14+,18-16+/t22-,23+,24-,25+,26-/m0/s1
InChIKey CAENZNWBZFBTAX-ZJBAPXDSSA-N
Mol Weight 491.8 g/mol
Molecular Formula C29H53NO3Si
Exact Mass 491.379471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Al9ZrFD6K0
Name (2S,3S,4aS,5S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-[(1E,3E)-octa-1,3-dienyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53NO3Si
InChI InChI=1S/C29H53NO3Si/c1-11-12-13-14-15-16-18-23-19-17-20-25-24(23)21-26(33-34(9,10)29(6,7)8)22(2)30(25)27(31)32-28(3,4)5/h14-16,18,22-26H,11-13,17,19-21H2,1-10H3/b15-14+,18-16+/t22-,23+,24-,25+,26-/m0/s1
InChIKey CAENZNWBZFBTAX-ZJBAPXDSSA-N
Molecular Weight 491.832 g/mol
SMILES [C@@]1(N([C@@]2(CCC[C@]([C@@]2(C[C@@]1(O[Si](C)(C)C(C)(C)C)[H])[H])(\C=C\C=C\CCCC)[H])[H])C(=O)OC(C)(C)C)(C)[H]
SPLASH splash10-0a4i-9002000000-9b2f5ba271d82c1dd381
Source of Spectrum J-66-3345-53
Synonyms tert-Butyl (2S,3S,4aS,5S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-[(1E,3E)-octa-1,3-dienyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
Wiley ID 1535145