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Tetrahydrodesoxycorticosterone, O,O',O''''-tris-TMS 1.isomer
SpectraBase Compound ID J6wONgEp90y
InChI InChI=1S/C30H58O3Si3/c1-29-18-16-23(32-35(6,7)8)20-22(29)12-13-24-25-14-15-27(30(25,2)19-17-26(24)29)28(33-36(9,10)11)21-31-34(3,4)5/h21-27H,12-20H2,1-11H3/t22-,23-,24?,25?,26?,27-,29+,30+/m1/s1
InChIKey QGHOPYOFFNPWTH-GWQLZKDNSA-N
Mol Weight 551.0 g/mol
Molecular Formula C30H58O3Si3
Exact Mass 550.369375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g52sVMJEkY
Name Tetrahydrodesoxycorticosterone, O,O',O''''-tris-TMS 2.isomer
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 550.369375330 u
Formula C30H58O3Si3
InChI InChI=1S/C30H58O3Si3/c1-29-18-16-23(32-35(6,7)8)20-22(29)12-13-24-25-14-15-27(30(25,2)19-17-26(24)29)28(33-36(9,10)11)21-31-34(3,4)5/h21-27H,12-20H2,1-11H3/t22-,23-,24?,25?,26?,27-,29+,30+/m1/s1
InChIKey QGHOPYOFFNPWTH-GWQLZKDNSA-N
Molecular Weight 551.046 g/mol
Nominal Mass 550 u
Number of Peaks 44
SMILES C1C[C@](C[C@@]2([C@@]1(C)C1CC[C@]3(C(C1CC2)CC[C@@]3(C(O[Si](C)(C)C)=CO[Si](C)(C)C)[H])C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-0ue9-3370090000-4ed090d367b361cc648b
Source File Reference DSHS_50_1146
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1146