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Cholestan-3-one, 2,4,4-trimethyl-, oxime, (2.alpha.,5.alpha.)-
SpectraBase Compound ID 7B7YiGXU5WT
InChI InChI=1S/C30H53NO/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(31-32)21(4)18-30(26,8)25(22)16-17-29(23,24)7/h19-26,32H,9-18H2,1-8H3/b31-27+/t20-,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey QWNWEKLUAVWMDB-WJOICEFCSA-N
Mol Weight 443.8 g/mol
Molecular Formula C30H53NO
Exact Mass 443.412715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DzWizLUeFj
Name Cholestan-3-one, 2,4,4-trimethyl-, oxime, (2.alpha.,5.alpha.)-
Alternate Name(s) (2alpha,5alpha)-2,4,4-trimethylcholestan-3-one oxime 2.alpha.,4,4-trimethyl-5.alpha.-cholestan-3-one oxime
CAS Registry Number 73305-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO
InChI InChI=1S/C30H53NO/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(31-32)21(4)18-30(26,8)25(22)16-17-29(23,24)7/h19-26,32H,9-18H2,1-8H3/b31-27+/t20-,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey QWNWEKLUAVWMDB-WJOICEFCSA-N
Molecular Weight 443.760 g/mol
SMILES O\N=C/1[C@@](C[C@]2([C@](C1(C)C)(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C)(C)[H]
SPLASH splash10-03di-0900300000-c34b4eb524c6444f01f8
Source of Spectrum KC-1979-2924-0
Wiley ID 1385802