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

*Links on SpectraBase are not permalinks.

(4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexan-1-ol

View entire compound with spectra: 1 MS (GC)

(4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexan-1-ol
SpectraBase Compound ID CxS9Ydrwr6f
InChI InChI=1S/C39H72O3Si2/c1-15-31(19-17-25-40)28(2)33-22-23-34-32(18-16-24-39(33,34)10)21-20-30-26-35(41-43(11,12)37(4,5)6)29(3)36(27-30)42-44(13,14)38(7,8)9/h20-21,28,31,33-36,40H,3,15-19,22-27H2,1-2,4-14H3/b32-21+/t28-,31+,33-,34+,35-,36-,39-/m1/s1
InChIKey HTJGKSDRUNFVKZ-FERZZKPESA-N
Mol Weight 645.2 g/mol
Molecular Formula C39H72O3Si2
Exact Mass 644.501999 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 DpIZ64UcKH9
Name (4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H72O3Si2
InChI InChI=1S/C39H72O3Si2/c1-15-31(19-17-25-40)28(2)33-22-23-34-32(18-16-24-39(33,34)10)21-20-30-26-35(41-43(11,12)37(4,5)6)29(3)36(27-30)42-44(13,14)38(7,8)9/h20-21,28,31,33-36,40H,3,15-19,22-27H2,1-2,4-14H3/b32-21+/t28-,31+,33-,34+,35-,36-,39-/m1/s1
InChIKey HTJGKSDRUNFVKZ-FERZZKPESA-N
Instrument Name a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type EI
Literature Reference DOI 10.1021/jm100649d
Molecular Weight 645.172 g/mol
Reported Formula C39H72O3Si2
SMILES OCCC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C\C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])C)[H])[H])(C)[H])(CC)[H]
SPLASH splash10-00di-9001020000-05258f87ab759a5ef44e
Source of Spectrum AF-53-5824-35
Wiley ID 1846224