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(5Z,7E,10Z)-3-(tert-Butyldimethylsilyloxy)-19-fluoro-9,10-seco-5,7,10(19)-cholestriene
SpectraBase Compound ID H9TJxVpEZ9Z
InChI InChI=1S/C33H57FOSi/c1-24(2)13-10-14-25(3)29-20-21-30-27(16-12-22-33(29,30)7)19-18-26-15-11-17-31(28(26)23-34)35-36(8,9)32(4,5)6/h18-19,23-25,29-31H,10-17,20-22H2,1-9H3/b26-18-,27-19+,28-23-/t25-,29?,30?,31+,33-/m1/s1
InChIKey CMMYUUYHIIIWGO-NZFLJIQCSA-N
Mol Weight 516.9 g/mol
Molecular Formula C33H57FOSi
Exact Mass 516.416271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF3uG70tN0b
Name (5Z,7E,10Z)-3-(tert-Butyldimethylsilyloxy)-19-fluoro-9,10-seco-5,7,10(19)-cholestriene
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Formula C33H57FOSi
InChI InChI=1S/C33H57FOSi/c1-24(2)13-10-14-25(3)29-20-21-30-27(16-12-22-33(29,30)7)19-18-26-15-11-17-31(28(26)23-34)35-36(8,9)32(4,5)6/h18-19,23-25,29-31H,10-17,20-22H2,1-9H3/b26-18-,27-19+,28-23-/t25-,29?,30?,31+,33-/m1/s1
InChIKey CMMYUUYHIIIWGO-NZFLJIQCSA-N
Molecular Weight 516.901 g/mol
SMILES [C@]12(C(\C(=C\C=C/3\C([C@@](O[Si](C(C)(C)C)(C)C)(CCC3)[H])=C\F)CCC1)CCC2[C@@](CCCC(C)C)(C)[H])C
SPLASH splash10-02t9-0973130000-ef6c0e14907477c0e0f1
Source of Spectrum E2-48-1491-2
Wiley ID 1555354