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5.alpha.-cholestane-2,3-dione-2-oxime
SpectraBase Compound ID 6ogvHu8VtlO
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28-30)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30H,6-16H2,1-5H3/b28-24-/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1
InChIKey OTMAHRHFFYYQJU-SAFBEDNKSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Vn6dqEjyGj
Name 5.alpha.-cholestane-2,3-dione-2-oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28-30)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30H,6-16H2,1-5H3/b28-24-/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1
InChIKey OTMAHRHFFYYQJU-SAFBEDNKSA-N
Molecular Weight 415.662 g/mol
SMILES O\N=C\1C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1=O)[H])[H])C
SPLASH splash10-05mk-9335300000-07531ab7745087de1827
Source of Spectrum AJ-61-4012-9
Synonyms (5alpha)-cholestane-2,3-dione 2-oxime
Wiley ID 1376099