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3-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-17-HYDROXYPREGNA-3,5-DIEN-20-ONE
SpectraBase Compound ID FoFZhnyaNP7
InChI InChI=1S/C27H44O3Si/c1-18(28)27(29)16-13-23-21-10-9-19-17-20(30-31(7,8)24(2,3)4)11-14-25(19,5)22(21)12-15-26(23,27)6/h9,17,21-23,29H,10-16H2,1-8H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKey NXWLOEKJXQYUBM-LJHIYBGHSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44O3Si
Exact Mass 444.305972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSrwaPlsLCY
Name 3-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-17-HYDROXYPREGNA-3,5-DIEN-20-ONE
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Exact Mass 444.305971809 u
Formula C27H44O3Si
InChI InChI=1S/C27H44O3Si/c1-18(28)27(29)16-13-23-21-10-9-19-17-20(30-31(7,8)24(2,3)4)11-14-25(19,5)22(21)12-15-26(23,27)6/h9,17,21-23,29H,10-16H2,1-8H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKey NXWLOEKJXQYUBM-LJHIYBGHSA-N
Molecular Weight 444.731 g/mol
Nominal Mass 444 u
Number of Peaks 154
SMILES O[C@@]1(CC[C@]2([C@@]3(CC=C4C=C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)O[Si](C)(C)C(C)(C)C)[H])[H])C(C)=O
SPLASH splash10-006x-9510300000-aa67e3f79a195592e0a6
Source File Reference LMCM-71357-665K
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms ANDROSTA-3,5-DIEN-3,17-DIOL, 17-ACETYL-3-O-(TERT.BUTYLDIMETHYLSILYL)- 1-[(1S,2R,10R,11S,14R,15S)-5-[(tert-butyldimethylsilyl)oxy]-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-5,7-dien-14-yl]ethan-1-one
Wiley ID 8_36365