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(1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione

View entire compound with spectra: 1 MS (GC)

(1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione
SpectraBase Compound ID Elqi5UHz77U
InChI InChI=1S/C26H35BrO3/c1-18-20-12-14-26(4,13-8-9-15-27)24(29)23(21(16-22(18)28)25(20,2)3)30-17-19-10-6-5-7-11-19/h5-7,10-11,21,23H,8-9,12-17H2,1-4H3/t21-,23+,26-/m1/s1
InChIKey NSDQIIGAWHHUPK-VIICAESSSA-N
Mol Weight 475.5 g/mol
Molecular Formula C26H35BrO3
Exact Mass 474.176958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FN5xj6Jw5Pg
Name (1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35BrO3
InChI InChI=1S/C26H35BrO3/c1-18-20-12-14-26(4,13-8-9-15-27)24(29)23(21(16-22(18)28)25(20,2)3)30-17-19-10-6-5-7-11-19/h5-7,10-11,21,23H,8-9,12-17H2,1-4H3/t21-,23+,26-/m1/s1
InChIKey NSDQIIGAWHHUPK-VIICAESSSA-N
Molecular Weight 475.467 g/mol
SMILES C1=2C([C@]([C@](OCc3ccccc3)(C([C@@](CC1)(CCCCBr)C)=O)[H])([H])CC(C2C)=O)(C)C
SPLASH splash10-0a4l-3219000000-d8b254e081b7a0ed864b
Source of Spectrum B-57-64-44
Synonyms 4-(4'-Bromobutyl)-4,8,11,11-tetramethyl-2-(phenylmethoxy)bicyclo[5.3.1]undec-7-ene-3,9-dione
Wiley ID 1551391