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des-D-5.alpha.,13.alpha.-Cholestane-3,14-dione
SpectraBase Compound ID HtTsuwCglL3
InChI InChI=1S/C16H24O2/c1-10-3-6-14-13(15(10)18)5-4-11-9-12(17)7-8-16(11,14)2/h10-11,13-14H,3-9H2,1-2H3/t10-,11-,13+,14-,16-/m0/s1
InChIKey QSUOYYCTWBGQKT-PRJRPASTSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IPMCKvfeMp
Name des-D-5.alpha.,13.alpha.-Cholestane-3,14-dione
Alternate Name(s) (2S,4aS,4bS,8aS,10aR)-2,4b-dimethyldecahydro-1,7(2H,4bH)-phenanthrenedione
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Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-10-3-6-14-13(15(10)18)5-4-11-9-12(17)7-8-16(11,14)2/h10-11,13-14H,3-9H2,1-2H3/t10-,11-,13+,14-,16-/m0/s1
InChIKey QSUOYYCTWBGQKT-PRJRPASTSA-N
Molecular Weight 248.366 g/mol
SMILES [C@]12([C@@]3([C@@](C(=O)[C@](CC3)(C)[H])([H])CC[C@]1(CC(CC2)=O)[H])[H])C
SPLASH splash10-052b-9560000000-3d0f711b4a7f63e951a8
Source of Spectrum G-64-109-10
Wiley ID 749533