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Neorogioldiol

View entire compound with spectra: 1 MS (GC)

Neorogioldiol
SpectraBase Compound ID FfySdJZUr0Z
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-/m1/s1
InChIKey ARJJMSRVKBBKMI-WLMMIMMTSA-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 5aMP9kOMWnF
Name Neorogioldiol
Alternate Name(s) (1R,3aR,5S,6S,6aR)-6-bromo-5-{1-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]vinyl}-1,4,4-trimethyloctahydro-1-pentalenol 6-Bromo-5-[1'-(3''-bromo-4''-hydroxy-4''-methylcyclohexyl)ethenyl]octahydro-1,4,4-trimethylpentalen-1-ol
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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-/m1/s1
InChIKey ARJJMSRVKBBKMI-WLMMIMMTSA-N
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-6913000000-c6507ef549c502c6f9a5
Source of Spectrum H-83-2952-8
Wiley ID 847307