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(-)-(4aR,9aS,10R)-1,4,4a,9a,10-pentahydro-10-hydroxy-2-methyl-anthracen-9-one (rubiasin B)
SpectraBase Compound ID 58YJu6xqpfc
InChI InChI=1S/C15H16O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-6,12-14,16H,7-8H2,1H3/t12-,13+,14+/m1/s1
InChIKey ZFJHEGLUSLQBNU-RDBSUJKOSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRvaT45Lks2
Name (-)-(4aR,9aS,10R)-1,4,4a,9a,10-pentahydro-10-hydroxy-2-methyl-anthracen-9-one (rubiasin B)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-6,12-14,16H,7-8H2,1H3/t12-,13+,14+/m1/s1
InChIKey ZFJHEGLUSLQBNU-RDBSUJKOSA-N
Molecular Weight 228.291 g/mol
SMILES O[C@@]1([C@]2([C@@](C(c3c1cccc3)=O)(CC(=CC2)C)[H])[H])[H]
SPLASH splash10-01ot-0940000000-359cad2ec913b615adec
Source of Spectrum AT-41-7161-2
Wiley ID 854903