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Des-A,B-cholestan-8-one
SpectraBase Compound ID A31unj86vLB
InChI InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15?,16+,18-/m1/s1
InChIKey ATMUYWZMPLKPEJ-OJISTFMOSA-N
Mol Weight 264.5 g/mol
Molecular Formula C18H32O
Exact Mass 264.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gdnw9h5neJo
Name Des-A,B-cholestan-8-one
Alternate Name(s) (3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-one (3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
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Formula C18H32O
InChI InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15?,16+,18-/m1/s1
InChIKey ATMUYWZMPLKPEJ-OJISTFMOSA-N
Molecular Weight 264.453 g/mol
SMILES [C@]12([C@@](CCC2[C@@](CCCC(C)C)(C)[H])(C(=O)CCC1)[H])C
SPLASH splash10-004i-0970000000-f9ccdd8d312e2ee63937
Source of Spectrum E1-39-4502-6
Wiley ID 1599030