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Estradiol, O,O'-bis-TBS
SpectraBase Compound ID 7IsXYJ7Ubv3
InChI InChI=1S/C30H52O2Si2/c1-28(2,3)33(8,9)31-22-13-15-23-21(20-22)12-14-25-24(23)18-19-30(7)26(25)16-17-27(30)32-34(10,11)29(4,5)6/h13,15,20,24-27H,12,14,16-19H2,1-11H3/t24?,25?,26?,27-,30-/m0/s1
InChIKey JFLALYDXWVIVJI-ILNBBPDDSA-N
Mol Weight 500.9 g/mol
Molecular Formula C30H52O2Si2
Exact Mass 500.350584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyhbhWyuyWn
Name Estradiol, O,O'-bis-TBS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 500.350583982 u
Formula C30H52O2Si2
InChI InChI=1S/C30H52O2Si2/c1-28(2,3)33(8,9)31-22-13-15-23-21(20-22)12-14-25-24(23)18-19-30(7)26(25)16-17-27(30)32-34(10,11)29(4,5)6/h13,15,20,24-27H,12,14,16-19H2,1-11H3/t24?,25?,26?,27-,30-/m0/s1
InChIKey JFLALYDXWVIVJI-ILNBBPDDSA-N
Molecular Weight 500.914 g/mol
Nominal Mass 500 u
Number of Peaks 44
SMILES CC(C)(C)[Si](Oc1cc2CCC3C4CC[C@](O[Si](C)(C)C(C)(C)C)([C@@]4(C)CCC3c2cc1)[H])(C)C
SPLASH splash10-0fr6-3239840000-7f3b09f913c48aad4eea
Source File Reference DSHS_50_1076
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms Estra-1,3,5(10)-triene-3,17.beta.-diol, O,O'-bis-TBS
Wiley ID 50_1076