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Methyloxime, t-butyldimethylsilyl derivative of Aetiocholanolone
SpectraBase Compound ID GuIt17YUtQS
InChI InChI=1S/C26H47NO2Si/c1-24(2,3)30(7,8)29-19-13-15-25(4)18(17-19)9-10-20-21-11-12-23(27-28-6)26(21,5)16-14-22(20)25/h18-22H,9-17H2,1-8H3/b27-23+/t18?,19-,20?,21?,22?,25+,26+/m1/s1
InChIKey ATAVHXFPXLCEHX-BFNGXPJZSA-N
Mol Weight 433.8 g/mol
Molecular Formula C26H47NO2Si
Exact Mass 433.337606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcOmuoDPWUD
Name Methyloxime, t-butyldimethylsilyl derivative of Aetiocholanolone
Alternate Name(s) (3alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}androstan-17-one O-methyloxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H47NO2Si
InChI InChI=1S/C26H47NO2Si/c1-24(2,3)30(7,8)29-19-13-15-25(4)18(17-19)9-10-20-21-11-12-23(27-28-6)26(21,5)16-14-22(20)25/h18-22H,9-17H2,1-8H3/b27-23+/t18?,19-,20?,21?,22?,25+,26+/m1/s1
InChIKey ATAVHXFPXLCEHX-BFNGXPJZSA-N
Molecular Weight 433.752 g/mol
SMILES [C@@]12(C3C(C4CC\C([C@]4(CC3)C)=N/OC)CCC2C[C@](O[Si](C(C)(C)C)(C)C)(CC1)[H])C
SPLASH splash10-004i-1009000000-55e6ebcc38b172462b97
Source of Spectrum KO-8-126-1
Wiley ID 1382722