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(1S,4aS,4bR,8aR,10aS)-1-(iodanylmethyl)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene
SpectraBase Compound ID 5BXxeYyfN2w
InChI InChI=1S/C20H33I/c1-14-7-8-17-19(4,15(14)13-21)12-9-16-18(2,3)10-6-11-20(16,17)5/h7,15-17H,6,8-13H2,1-5H3/t15-,16+,17+,19+,20+/m0/s1
InChIKey JZESZVBBECNKHT-AZNNDXHDSA-N
Mol Weight 400.4 g/mol
Molecular Formula C20H33I
Exact Mass 400.162696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qeFGgvZCEV
Name (1S,4aS,4bR,8aR,10aS)-1-(iodanylmethyl)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene
Alternate Name(s) (1S,4aS,4bR,8aR,10aS)-1-(iodomethyl)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene
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Formula C20H33I
InChI InChI=1S/C20H33I/c1-14-7-8-17-19(4,15(14)13-21)12-9-16-18(2,3)10-6-11-20(16,17)5/h7,15-17H,6,8-13H2,1-5H3/t15-,16+,17+,19+,20+/m0/s1
InChIKey JZESZVBBECNKHT-AZNNDXHDSA-N
Molecular Weight 400.388 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CI)[H])C)[H])C
SPLASH splash10-00di-0390000000-14d0da42c4d3cfcdf6f5
Source of Spectrum PS-54-101-4
Wiley ID 805207