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(3as,4S,5R,6ar)-5-(Tert-butyl-dimethyl-silanyloxy)-4-{4-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-hexyl]-phenyl}-hexahydro-pentalen-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3as,4S,5R,6ar)-5-(Tert-butyl-dimethyl-silanyloxy)-4-{4-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-hexyl]-phenyl}-hexahydro-pentalen-2-one
SpectraBase Compound ID 7fLQohMIDsQ
InChI InChI=1S/C32H56O3Si2/c1-12-13-14-15-28(34-36(8,9)31(2,3)4)23-16-18-24(19-17-23)30-27-22-26(33)20-25(27)21-29(30)35-37(10,11)32(5,6)7/h16-19,25,27-30H,12-15,20-22H2,1-11H3/t25-,27-,28-,29+,30+/m0/s1
InChIKey GCIJFHFAUXPGIA-YVZPFGSISA-N
Mol Weight 545.0 g/mol
Molecular Formula C32H56O3Si2
Exact Mass 544.376799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5807M1YuFEL
Name (3as,4S,5R,6ar)-5-(Tert-butyl-dimethyl-silanyloxy)-4-{4-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-hexyl]-phenyl}-hexahydro-pentalen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.376798730 u
Formula C32H56O3Si2
InChI InChI=1S/C32H56O3Si2/c1-12-13-14-15-28(34-36(8,9)31(2,3)4)23-16-18-24(19-17-23)30-27-22-26(33)20-25(27)21-29(30)35-37(10,11)32(5,6)7/h16-19,25,27-30H,12-15,20-22H2,1-11H3/t25-,27-,28-,29+,30+/m0/s1
InChIKey GCIJFHFAUXPGIA-YVZPFGSISA-N
Molecular Weight 544.967 g/mol
SMILES [C@]12([C@](C[C@]([C@@]2(C2=CC=C([C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])C=C2)[H])(O[Si](C(C)(C)C)(C)C)[H])(CC(C1)=O)[H])[H]