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A-homo-5.alpha.-cholestane-3,4-dione 3-oxime
SpectraBase Compound ID 8Z59CIQRdy4
InChI InChI=1S/C28H47NO2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-26(30)25(29-31)14-16-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3/b29-25+/t19-,20+,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey ULSZRGQVTAFBEW-CFASTZLISA-N
Mol Weight 429.7 g/mol
Molecular Formula C28H47NO2
Exact Mass 429.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UdfUqDyYxk
Name A-homo-5.alpha.-cholestane-3,4-dione 3-oxime
Alternate Name(s) (1R,3aS,3bR,5aS,8E,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethylhexadecahydrocyclohepta[a]cyclopenta[f]naphthalene-7,8-dione 8-oxime
CAS Registry Number 123239-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO2
InChI InChI=1S/C28H47NO2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-26(30)25(29-31)14-16-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3/b29-25+/t19-,20+,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey ULSZRGQVTAFBEW-CFASTZLISA-N
Molecular Weight 429.689 g/mol
SMILES O\N=C/1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC1=O)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C
SPLASH splash10-0cl4-9210600000-4d6925a2717b1c3d23cb
Source of Spectrum J-54-5952-24
Wiley ID 1381259