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3-Hydroxyandrost-4-ene-6,17-dione 3TMS
SpectraBase Compound ID KF9f3ycMmN4
InChI InChI=1S/C28H50O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13,18-23H,12,14-17H2,1-11H3/t20-,21-,22-,23-,27+,28-/m0/s1
InChIKey XCFBKFXJXUYQHV-QEHLSAKUSA-N
Mol Weight 519.0 g/mol
Molecular Formula C28H50O3Si3
Exact Mass 518.306775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fw06myAoAgs
Name ((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triyl)tris(oxy)tris(trimethylsilane)
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Formula C28H50O3Si3
InChI InChI=1S/C28H50O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13,18-23H,12,14-17H2,1-11H3/t20-,21-,22-,23-,27+,28-/m0/s1
InChIKey XCFBKFXJXUYQHV-QEHLSAKUSA-N
Literature Reference DOI 10.1002/rcm.3861
Molecular Weight 518.960 g/mol
SMILES C1C[C@]2(C(=C[C@]1(O[Si](C)(C)C)[H])C(=C[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2O[Si](C)(C)C)[H])C)[H])[H])O[Si](C)(C)C)C
SPLASH splash10-00xr-9230370000-b0cfe7bbce105f796509
Source of Spectrum RCM-23-213-Figure4_2
Synonyms (((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triyl)tris(oxy))tris(trimethylsilane)
Wiley ID 1814614