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Estrone 16-enol, O,O'-bis-TBS
SpectraBase Compound ID a31jsi7dDS
InChI InChI=1S/C30H50O2Si2/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/h13,15,17,20,24-26H,12,14,16,18-19H2,1-11H3/t24?,25?,26?,30-/m0/s1
InChIKey SNIPCIPHKSRBOH-SDEQBARCSA-N
Mol Weight 498.9 g/mol
Molecular Formula C30H50O2Si2
Exact Mass 498.334934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ScKagPn56o
Name Estrone 16-enol, O,O'-bis-TBS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 498.334933918 u
Formula C30H50O2Si2
InChI InChI=1S/C30H50O2Si2/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/h13,15,17,20,24-26H,12,14,16,18-19H2,1-11H3/t24?,25?,26?,30-/m0/s1
InChIKey SNIPCIPHKSRBOH-SDEQBARCSA-N
Molecular Weight 498.898 g/mol
Nominal Mass 498 u
Number of Peaks 44
SMILES CC(C)(C)[Si](Oc1cc2CCC3C4CC=C(O[Si](C)(C)C(C)(C)C)[C@@]4(C)CCC3c2cc1)(C)C
SPLASH splash10-0007-3116900000-aa35376565cd5f25ab1c
Source File Reference DSHS_50_1077
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms Estra-1,3,5(10),16-tetraene-3,17-diol, O,O'-bis-TBS
Wiley ID 50_1077