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(S)-1-[(2R,3aS,5S,6aS)-5-(tert-Butyl-diphenyl-silanyloxy)-2-triethylsilanyloxy-octahydro-pentalen-1-yl]-4-methyl-nona-1,6-diyn-3-one

View entire compound with spectra: 1 MS (GC)

(S)-1-[(2R,3aS,5S,6aS)-5-(tert-Butyl-diphenyl-silanyloxy)-2-triethylsilanyloxy-octahydro-pentalen-1-yl]-4-methyl-nona-1,6-diyn-3-one
SpectraBase Compound ID 12NnB8s0CGO
InChI InChI=1S/C40H56O3Si2/c1-9-13-16-21-31(5)38(41)27-26-36-37-30-33(28-32(37)29-39(36)43-44(10-2,11-3)12-4)42-45(40(6,7)8,34-22-17-14-18-23-34)35-24-19-15-20-25-35/h14-15,17-20,22-25,31-33,36-37,39H,9-12,21,28-30H2,1-8H3/t31-,32-,33-,36?,37-,39+/m0/s1
InChIKey LIFIOYGXLUACIY-PNSOCOIRSA-N
Mol Weight 641.1 g/mol
Molecular Formula C40H56O3Si2
Exact Mass 640.376799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgGo7Hthsvr
Name (S)-1-[(2R,3aS,5S,6aS)-5-(tert-Butyl-diphenyl-silanyloxy)-2-triethylsilanyloxy-octahydro-pentalen-1-yl]-4-methyl-nona-1,6-diyn-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O3Si2
InChI InChI=1S/C40H56O3Si2/c1-9-13-16-21-31(5)38(41)27-26-36-37-30-33(28-32(37)29-39(36)43-44(10-2,11-3)12-4)42-45(40(6,7)8,34-22-17-14-18-23-34)35-24-19-15-20-25-35/h14-15,17-20,22-25,31-33,36-37,39H,9-12,21,28-30H2,1-8H3/t31-,32-,33-,36?,37-,39+/m0/s1
InChIKey LIFIOYGXLUACIY-PNSOCOIRSA-N
Molecular Weight 641.055 g/mol
SMILES C(C1[C@@]2([C@@](C[C@](O[Si](C(C)(C)C)(c3ccccc3)c3ccccc3)(C2)[H])(C[C@]1(O[Si](CC)(CC)CC)[H])[H])[H])#CC(=O)[C@](CC#CCC)(C)[H]
SPLASH splash10-001i-1624193000-ad3f50104dff52a89950
Source of Spectrum C-125-9665-8a
Synonyms 1-[5'-(t-Butyldiphenylsilyloxy)-2'-(triethylsilyloxy)-octahydro-pentalen-1'-yl]-(4S)-methylnona-1,6-diyn-3-one
Wiley ID 1701075