For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
17.alpha.-Estradiol, O,O'-bis-TBS
SpectraBase Compound ID i9FwCD1d61
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+/m1/s1
InChIKey JFLALYDXWVIVJI-DZUCBAJPSA-N
Mol Weight 500.9 g/mol
Molecular Formula C30H52O2Si2
Exact Mass 500.350584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I0PQKQlkYh4
Name 17.alpha.-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+/m1/s1
InChIKey JFLALYDXWVIVJI-DZUCBAJPSA-N
Molecular Weight 500.914 g/mol
Nominal Mass 500 u
Number of Peaks 43
SMILES CC(C)(C)[Si](C)(C)O[C@]1([C@]2(CCC3c4ccc(cc4CCC3C2CC1)O[Si](C)(C)C(C)(C)C)C)[H]
SPLASH splash10-014i-2119220000-43b35c4241763fc46bd8
Source File Reference DSHS_50_1080
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.alpha.-diol, O,O'-bis-TBS
Wiley ID 50_1080