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2-Formyl-3-cholestanone
SpectraBase Compound ID CrXkJWbgdcY
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-25H,6-16H2,1-5H3/t19-,20?,21?,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey UQEDQRJKNWHJND-ATPLGATNSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2pGQZRZVGE
Name 2-Formyl-3-cholestanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-25H,6-16H2,1-5H3/t19-,20?,21?,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey UQEDQRJKNWHJND-ATPLGATNSA-N
Molecular Weight 414.674 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CCC2CC(=O)C(C1)C=O)[H])C
SPLASH splash10-03di-7733900000-383ffd34ee3e91a74171
Source of Spectrum PG-1982-292-0
Synonyms 3-Oxocholestane-2-carbaldehyde
Wiley ID 1375742