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Ethyl 3-(methoxyimino)-12.alpha.-(ethyldimethylsilyloxy)-5.beta.-cholanoate
SpectraBase Compound ID FNIMLngeraL
InChI InChI=1S/C31H55NO4Si/c1-9-35-29(33)16-11-21(3)25-14-15-26-24-13-12-22-19-23(32-34-6)17-18-30(22,4)27(24)20-28(31(25,26)5)36-37(7,8)10-2/h21-22,24-28H,9-20H2,1-8H3/b32-23+/t21-,22-,24+,25-,26+,27+,28+,30+,31-/m1/s1
InChIKey VODJHMYKRACFKL-JQKBOPDXSA-N
Mol Weight 533.9 g/mol
Molecular Formula C31H55NO4Si
Exact Mass 533.390036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZzqAGaEiCu
Name Ethyl 3-(methoxyimino)-12.alpha.-(ethyldimethylsilyloxy)-5.beta.-cholanoate
Alternate Name(s) Ethyl (5beta,12alpha)-12-{[ethyl(dimethyl)silyl]oxy}-3-(methoxyimino)cholan-24-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H55NO4Si
InChI InChI=1S/C31H55NO4Si/c1-9-35-29(33)16-11-21(3)25-14-15-26-24-13-12-22-19-23(32-34-6)17-18-30(22,4)27(24)20-28(31(25,26)5)36-37(7,8)10-2/h21-22,24-28H,9-20H2,1-8H3/b32-23+/t21-,22-,24+,25-,26+,27+,28+,30+,31-/m1/s1
InChIKey VODJHMYKRACFKL-JQKBOPDXSA-N
Molecular Weight 533.869 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@]2(O[Si](CC)(C)C)[H])[H])(CC\C(=N/OC)C4)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-0f6t-0009120000-d6cbcc769d4bd6704c63
Source of Spectrum JC-525-31-0
Wiley ID 1403721