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3-{[(t-Butyl)dimethylsilyl]oxy}-pregna-5,17(20)-dien-21-yl Acetate
SpectraBase Compound ID B1FNBR00tgf
InChI InChI=1S/C29H48O3Si/c1-20(30)31-18-15-21-10-12-25-24-11-9-22-19-23(32-33(7,8)27(2,3)4)13-16-29(22,6)26(24)14-17-28(21,25)5/h9,15,23-26H,10-14,16-19H2,1-8H3/b21-15+/t23?,24?,25?,26?,28-,29+/m1/s1
InChIKey BAGHLMGPBPZPSN-XHTTVYQWSA-N
Mol Weight 472.8 g/mol
Molecular Formula C29H48O3Si
Exact Mass 472.337272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3d1mcbVHAsW
Name 3-{[(t-Butyl)dimethylsilyl]oxy}-pregna-5,17(20)-dien-21-yl Acetate
Alternate Name(s) (17E)-3-{[tert-butyl(dimethyl)silyl]oxy}pregna-5,17-dien-21-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3Si
InChI InChI=1S/C29H48O3Si/c1-20(30)31-18-15-21-10-12-25-24-11-9-22-19-23(32-33(7,8)27(2,3)4)13-16-29(22,6)26(24)14-17-28(21,25)5/h9,15,23-26H,10-14,16-19H2,1-8H3/b21-15+/t23?,24?,25?,26?,28-,29+/m1/s1
InChIKey BAGHLMGPBPZPSN-XHTTVYQWSA-N
Molecular Weight 472.785 g/mol
SMILES [C@]12(C(=CCC3C4CC\C([C@]4(CCC23)C)=C/COC(=O)C)CC(O[Si](C(C)(C)C)(C)C)CC1)C
SPLASH splash10-02vj-1002900000-4194f7410d319bffa181
Source of Spectrum H-87-3000-10
Wiley ID 1564186