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3-{[(t-Butyl)dimethylsilyl]oxy}-pregn-16-en-20-one
SpectraBase Compound ID AQOyWKxVMKo
InChI InChI=1S/C27H46O2Si/c1-18(28)22-11-12-23-21-10-9-19-17-20(29-30(7,8)25(2,3)4)13-15-26(19,5)24(21)14-16-27(22,23)6/h11,19-21,23-24H,9-10,12-17H2,1-8H3/t19-,20-,21-,23-,24-,26-,27+/m0/s1
InChIKey WSEFKCQDCRQVTM-SINGNXGNSA-N
Mol Weight 430.7 g/mol
Molecular Formula C27H46O2Si
Exact Mass 430.326707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MLausyoWOW
Name 3-{[(t-Butyl)dimethylsilyl]oxy}-pregn-16-en-20-one
Alternate Name(s) (3beta,5alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}pregn-16-en-20-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2Si
InChI InChI=1S/C27H46O2Si/c1-18(28)22-11-12-23-21-10-9-19-17-20(29-30(7,8)25(2,3)4)13-15-26(19,5)24(21)14-16-27(22,23)6/h11,19-21,23-24H,9-10,12-17H2,1-8H3/t19-,20-,21-,23-,24-,26-,27+/m0/s1
InChIKey WSEFKCQDCRQVTM-SINGNXGNSA-N
Molecular Weight 430.748 g/mol
SMILES [C@@]12(C(=CC[C@]2([C@@]2(CC[C@@]3([C@@]([C@]2(CC1)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])C)[H])[H])[H])C(=O)C)C
SPLASH splash10-004i-9002100000-fdb26cbba91a0bb2c94a
Source of Spectrum H-87-3000-2
Wiley ID 1564183