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[1S-[1.alpha.[E(R*)],3a.beta.,4.beta.,7.beta.,7a.alpha.]]-4-Bromo-1-[(4-bromo-3,3-dimethylcyclohexylidene)methyl]octahydro-7-hydroxy-3a,7-dimethyl-2H-inden-2-one

View entire compound with spectra: 1 MS (GC)

[1S-[1.alpha.[E(R*)],3a.beta.,4.beta.,7.beta.,7a.alpha.]]-4-Bromo-1-[(4-bromo-3,3-dimethylcyclohexylidene)methyl]octahydro-7-hydroxy-3a,7-dimethyl-2H-inden-2-one
SpectraBase Compound ID GdfSWOpJyrk
InChI InChI=1S/C20H30Br2O2/c1-18(2)10-12(5-6-15(18)21)9-13-14(23)11-19(3)16(22)7-8-20(4,24)17(13)19/h9,13,15-17,24H,5-8,10-11H2,1-4H3/b12-9+/t13-,15?,16+,17+,19-,20+/m1/s1
InChIKey KZCKKZZCEHFOFO-AZPHTEODSA-N
Mol Weight 462.27 g/mol
Molecular Formula C20H30Br2O2
Exact Mass 460.061256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6EEUpoMfNT
Name [1S-[1.alpha.[E(R*)],3a.beta.,4.beta.,7.beta.,7a.alpha.]]-4-Bromo-1-[(4-bromo-3,3-dimethylcyclohexylidene)methyl]octahydro-7-hydroxy-3a,7-dimethyl-2H-inden-2-one
CAS Registry Number 67506-10-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30Br2O2
InChI InChI=1S/C20H30Br2O2/c1-18(2)10-12(5-6-15(18)21)9-13-14(23)11-19(3)16(22)7-8-20(4,24)17(13)19/h9,13,15-17,24H,5-8,10-11H2,1-4H3/b12-9+/t13-,15?,16+,17+,19-,20+/m1/s1
InChIKey KZCKKZZCEHFOFO-AZPHTEODSA-N
Molecular Weight 462.266 g/mol
SMILES O[C@@]1([C@]2([C@](\C=C\3CC(C)(C)C(CC3)Br)(C(C[C@@]2([C@](CC1)(Br)[H])C)=O)[H])[H])C
SPLASH splash10-03di-0000900000-7f7d7d92fd405273c9db
Source of Spectrum J-43-4407-0
Synonyms (1S,3aS,4S,7S,7aS)-4-bromo-1-[(E)-(4-bromo-3,3-dimethylcyclohexylidene)methyl]-7-hydroxy-3a,7-dimethyloctahydro-2H-inden-2-one
Wiley ID 1390400