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4-(tert-Butyldiphenylsilyloxy)-6-heptenyl-1-(4-ethoxycarbonylbutyl)bicyclo[3.1.0]hexane-2-one isomer
SpectraBase Compound ID 2JAz4b2gYmR
InChI InChI=1S/C36H50O4Si/c1-6-8-9-10-17-24-30-34-31(27-32(37)36(30,34)26-19-18-25-33(38)39-7-2)40-41(35(3,4)5,28-20-13-11-14-21-28)29-22-15-12-16-23-29/h11-17,20-24,30-31,34H,6-10,18-19,25-27H2,1-5H3/b24-17+/t30-,31+,34+,36-/m0/s1
InChIKey FJAIMDYYFZQHQU-KUGLLLOSSA-N
Mol Weight 574.9 g/mol
Molecular Formula C36H50O4Si
Exact Mass 574.347837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUJHzGzKcg5
Name 4-(tert-Butyldiphenylsilyloxy)-6-heptenyl-1-(4-ethoxycarbonylbutyl)bicyclo[3.1.0]hexane-2-one isomer
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Formula C36H50O4Si
InChI InChI=1S/C36H50O4Si/c1-6-8-9-10-17-24-30-34-31(27-32(37)36(30,34)26-19-18-25-33(38)39-7-2)40-41(35(3,4)5,28-20-13-11-14-21-28)29-22-15-12-16-23-29/h11-17,20-24,30-31,34H,6-10,18-19,25-27H2,1-5H3/b24-17+/t30-,31+,34+,36-/m0/s1
InChIKey FJAIMDYYFZQHQU-KUGLLLOSSA-N
Molecular Weight 574.877 g/mol
SMILES [C@@]12([C@@]([C@](O[Si](C(C)(C)C)(c3ccccc3)c3ccccc3)(CC2=O)[H])([C@@]1(\C=C\CCCCC)[H])[H])CCCCC(=O)OCC
SPLASH splash10-0002-0920010000-9a72cea2b1c81515d70b
Source of Spectrum J-64-7986-11
Synonyms 5-[(1R,4R,5S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(E)-hept-1-enyl]-2-oxo-1-bicyclo[3.1.0]hexanyl]pentanoic acid ethyl ester Ethyl 5-[(1R,4R,5S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(E)-hept-1-enyl]-2-oxo-1-bicyclo[3.1.0]hexanyl]pentanoate Ethyl 5-[(1R,4R,5S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(E)-hept-1-enyl]-2-oxidanylidene-1-bicyclo[3.1.0]hexanyl]pentanoate
Wiley ID 1531295