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

View entire compound with spectra: 1 MS (GC)

(3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptan-1-ol
SpectraBase Compound ID BIKt0QMARoL
InChI InChI=1S/C40H74O3Si2/c1-15-16-18-32(24-26-41)29(2)34-22-23-35-33(19-17-25-40(34,35)10)21-20-31-27-36(42-44(11,12)38(4,5)6)30(3)37(28-31)43-45(13,14)39(7,8)9/h20-21,29,32,34-37,41H,3,15-19,22-28H2,1-2,4-14H3/b33-21+/t29-,32+,34-,35+,36-,37-,40-/m1/s1
InChIKey LVFDAUNIKBCCSZ-XGHXECDJSA-N
Mol Weight 659.2 g/mol
Molecular Formula C40H74O3Si2
Exact Mass 658.517649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hmeYLzqC3w
Name (3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptan-1-ol
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Formula C40H74O3Si2
InChI InChI=1S/C40H74O3Si2/c1-15-16-18-32(24-26-41)29(2)34-22-23-35-33(19-17-25-40(34,35)10)21-20-31-27-36(42-44(11,12)38(4,5)6)30(3)37(28-31)43-45(13,14)39(7,8)9/h20-21,29,32,34-37,41H,3,15-19,22-28H2,1-2,4-14H3/b33-21+/t29-,32+,34-,35+,36-,37-,40-/m1/s1
InChIKey LVFDAUNIKBCCSZ-XGHXECDJSA-N
Instrument Name a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type EI
Literature Reference DOI 10.1021/jm100649d
Molecular Weight 659.199 g/mol
Reported Formula C40H74O3Si2
SMILES OCC[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])(CCCC)[H]
SPLASH splash10-00dj-6900010000-5ee2ce44c20ff61b18f8
Source of Spectrum AF-53-5821-16
Wiley ID 1846211