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

View entire compound with spectra: 1 MS (GC)

[3S-[3.alpha.(R*,4R*),3a.alpha.,4.beta.,7.beta.,7a.beta.]]-7-Bromo-3-[(4-bromo-1-hydroxy-3,3-dimethylcyclohexyl)methyl]octahydro-4,7a-dimethyl-1H-inden-4-ol
SpectraBase Compound ID DGFq9B3MY0e
InChI InChI=1S/C20H34Br2O2/c1-17(2)12-20(24,10-7-14(17)21)11-13-5-8-18(3)15(22)6-9-19(4,23)16(13)18/h13-16,23-24H,5-12H2,1-4H3/t13-,14?,15-,16-,18+,19+,20?/m0/s1
InChIKey WORGNGGMSOIQIY-JEGTVXHSSA-N
Mol Weight 466.3 g/mol
Molecular Formula C20H34Br2O2
Exact Mass 464.092556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZPBpfI8XJ4
Name [3S-[3.alpha.(R*,4R*),3a.alpha.,4.beta.,7.beta.,7a.beta.]]-7-Bromo-3-[(4-bromo-1-hydroxy-3,3-dimethylcyclohexyl)methyl]octahydro-4,7a-dimethyl-1H-inden-4-ol
CAS Registry Number 67506-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34Br2O2
InChI InChI=1S/C20H34Br2O2/c1-17(2)12-20(24,10-7-14(17)21)11-13-5-8-18(3)15(22)6-9-19(4,23)16(13)18/h13-16,23-24H,5-12H2,1-4H3/t13-,14?,15-,16-,18+,19+,20?/m0/s1
InChIKey WORGNGGMSOIQIY-JEGTVXHSSA-N
Molecular Weight 466.298 g/mol
SMILES OC1(C[C@@]2(CC[C@]3([C@]2([C@@](CC[C@@]3(Br)[H])(O)C)[H])C)[H])CC(C)(C)C(CC1)Br
SPLASH splash10-001i-0000900000-ac27b015dbdfb85f0fec
Source of Spectrum J-43-4406-0
Synonyms (3S,3aS,4R,7S,7aS)-7-bromo-3-[(4-bromo-1-hydroxy-3,3-dimethylcyclohexyl)methyl]-4,7a-dimethyloctahydro-1H-inden-4-ol
Wiley ID 1391399