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(1R,2S,4R,5S,6S,7S)-5-(8-tert-Butyldimethylsilyloxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
SpectraBase Compound ID 5KC5nzx7OjO
InChI InChI=1S/C29H48O2Si/c1-7-8-13-17-25-24(26-22-18-19-23(21-22)27(26)28(25)30)16-14-11-9-10-12-15-20-31-32(5,6)29(2,3)4/h18-19,22-27H,7,9-12,14-17,20-21H2,1-6H3/t22-,23+,24-,25-,26+,27+/m1/s1
InChIKey ACBFQZXSHQFNLA-PXCGUVFGSA-N
Mol Weight 456.8 g/mol
Molecular Formula C29H48O2Si
Exact Mass 456.342357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJbVtJtHID0
Name (1R,2S,4R,5S,6S,7S)-5-(8-tert-Butyldimethylsilyloxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
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Formula C29H48O2Si
InChI InChI=1S/C29H48O2Si/c1-7-8-13-17-25-24(26-22-18-19-23(21-22)27(26)28(25)30)16-14-11-9-10-12-15-20-31-32(5,6)29(2,3)4/h18-19,22-27H,7,9-12,14-17,20-21H2,1-6H3/t22-,23+,24-,25-,26+,27+/m1/s1
InChIKey ACBFQZXSHQFNLA-PXCGUVFGSA-N
Molecular Weight 456.786 g/mol
SMILES [C@@]12(C([C@](CC#CCC)([C@]([C@@]2([C@]2(C[C@@]1(C=C2)[H])[H])[H])(CCCCCCCCO[Si](C(C)(C)C)(C)C)[H])[H])=O)[H]
SPLASH splash10-001i-1009000000-ae49b2a51f00f403ed18
Source of Spectrum F-51-176-5
Synonyms (1R,2S,4R,5S,6S,7S)-5-(8-{[tert-butyl(dimethyl)silyl]oxy}octyl)-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-en-3-one (2R,3S,3aS,4S,7R,7aS)-3-[8-(tert-Butyl-dimethyl-silanyloxy)-octyl]-2-pent-2-ynyl-2,3,3a,4,7,7a-hexahydro-4,7-methano-inden-1-one trans-5-(8-tert-Butyldimethylsilyloxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
Wiley ID 790456