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(1R,3aR,5R,6S,6aR)-6-Bromo-5-{1-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl}octahydro-1,4,4-trimethylpentalen-1-ol

View entire compound with spectra: 1 MS (GC)

(1R,3aR,5R,6S,6aR)-6-Bromo-5-{1-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl}octahydro-1,4,4-trimethylpentalen-1-ol
SpectraBase Compound ID tT0iwV8Vzv
InChI InChI=1S/C20H32Br2O2/c1-11(12-6-8-19(4,23)14(21)10-12)15-17(22)16-13(18(15,2)3)7-9-20(16,5)24/h12-17,23-24H,1,6-10H2,2-5H3/t12-,13+,14-,15+,16-,17-,19+,20+/m0/s1
InChIKey ARJJMSRVKBBKMI-PWLOBRFRSA-N
Mol Weight 464.3 g/mol
Molecular Formula C20H32Br2O2
Exact Mass 462.076906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9weh1vrrs9p
Name (1R,3aR,5R,6S,6aR)-6-Bromo-5-{1-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl}octahydro-1,4,4-trimethylpentalen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32Br2O2
InChI InChI=1S/C20H32Br2O2/c1-11(12-6-8-19(4,23)14(21)10-12)15-17(22)16-13(18(15,2)3)7-9-20(16,5)24/h12-17,23-24H,1,6-10H2,2-5H3/t12-,13+,14-,15+,16-,17-,19+,20+/m0/s1
InChIKey ARJJMSRVKBBKMI-PWLOBRFRSA-N
Literature Reference DOI 10.1002_1522-2675(20001108)83_11_2946
Molecular Weight 464.282 g/mol
SMILES O[C@]1([C@]2([C@](C([C@](C([C@]3(CC[C@]([C@](C3)(Br)[H])(O)C)[H])=C)([C@@]2(Br)[H])[H])(C)C)(CC1)[H])[H])C
SPLASH splash10-00dl-6902000000-cec3d3038cd384a5fa1f
Source of Spectrum H-80-2952-8
Synonyms Neorogioldiol (1R,3aR,5R,6S,6aR)-6-bromo-5-(1-((1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl)vinyl)-1,4,4-trimethyloctahydropentalen-1-ol
Wiley ID 1787498