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NEOROGIOLDIOL-B
SpectraBase Compound ID Ee1M0VDWij5
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-AVVGUTAWSA-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 6Dn86jqCp8G
Name (2R*,3S*,6R*,8S*,9S*,10R*,11S*,14R*)-Neorogioldiol B
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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-AVVGUTAWSA-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 splash10-00b9-2229000000-dd027930d38536ee7d96
Source of Spectrum F-68-7673-6
Synonyms (1S,3aR,5S,6S,6aR)-6-bromo-5-[1-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl]-1,4,4-trimethyl-2,3,3a,5,6,6a-hexahydropentalen-1-ol (1S,3aR,5S,6S,6aR)-6-bromanyl-5-[1-[(1R,3R,4S)-3-bromanyl-4-methyl-4-oxidanyl-cyclohexyl]ethenyl]-1,4,4-trimethyl-2,3,3a,5,6,6a-hexahydropentalen-1-ol
Wiley ID 1573452