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[1R-[1.alpha.(S*),3a.beta.,4.alpha.,7a.alpha.]-octahydro-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-.beta.,7a-dimethyl-1H-indene-1-ethanol, 4-toluenesulfonate
SpectraBase Compound ID 8Tyy4THg5Hb
InChI InChI=1S/C26H44O4SSi/c1-19-11-13-21(14-12-19)31(27,28)29-18-20(2)22-15-16-23-24(10-9-17-26(22,23)6)30-32(7,8)25(3,4)5/h11-14,20,22-24H,9-10,15-18H2,1-8H3/t20?,22-,23+,24+,26-/m1/s1
InChIKey YPZVZHFTOWMQHV-YHRAJFLFSA-N
Mol Weight 480.8 g/mol
Molecular Formula C26H44O4SSi
Exact Mass 480.272958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i79NIbZNfm
Name [1R-[1.alpha.(S*),3a.beta.,4.alpha.,7a.alpha.]-octahydro-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-.beta.,7a-dimethyl-1H-indene-1-ethanol, 4-toluenesulfonate
CAS Registry Number 100928-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O4SSi
InChI InChI=1S/C26H44O4SSi/c1-19-11-13-21(14-12-19)31(27,28)29-18-20(2)22-15-16-23-24(10-9-17-26(22,23)6)30-32(7,8)25(3,4)5/h11-14,20,22-24H,9-10,15-18H2,1-8H3/t20?,22-,23+,24+,26-/m1/s1
InChIKey YPZVZHFTOWMQHV-YHRAJFLFSA-N
Molecular Weight 480.779 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C([C@@]1([C@@]2([C@@]([C@@](O[Si](C(C)(C)C)(C)C)(CCC2)[H])([H])CC1)C)[H])C
SPLASH splash10-004i-0960000000-f5a79cae963c340d4718
Source of Spectrum J-51-3105-29
Wiley ID 1395202