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Cholest-4-en-3-one, 2,2-dimethyl-, oxime, (3E)-
SpectraBase Compound ID KK2X58tjwQo
InChI InChI=1S/C29H49NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30-31)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25,31H,8-16,18H2,1-7H3/b30-26+/t20-,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey YLYHBHXPHPBXCH-KRISAKNFSA-N
Mol Weight 427.7 g/mol
Molecular Formula C29H49NO
Exact Mass 427.381415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2v3YHkSvpIA
Name Cholest-4-en-3-one, 2,2-dimethyl-, oxime, (3E)-
Alternate Name(s) (E)-2,2-Dimethylcholest-4-en-3-one oxime 2,2-Dimethylcholest-4-en-3-one oxime
CAS Registry Number 116515-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO
InChI InChI=1S/C29H49NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30-31)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25,31H,8-16,18H2,1-7H3/b30-26+/t20-,22+,23-,24+,25+,28-,29+/m1/s1
InChIKey YLYHBHXPHPBXCH-KRISAKNFSA-N
Molecular Weight 427.717 g/mol
SMILES O\N=C\1C(C[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C)(C)C
SPLASH splash10-0w2a-0805900000-31e5a518c519ece238ac
Source of Spectrum KC-1988-325-6
Wiley ID 1380484