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Cholestane, ethanone deriv.
SpectraBase Compound ID 2PczYyRH52F
InChI InChI=1S/C29H48O/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-18-22(21(4)30)14-16-28(23,5)27(24)15-17-29(25,26)6/h14,19-20,23-27H,7-13,15-18H2,1-6H3/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey WJDXLOJEAFXKBN-MEKCMURWSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rWRxZX0P4e
Name Cholestane, ethanone deriv.
CAS Registry Number 2310-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-18-22(21(4)30)14-16-28(23,5)27(24)15-17-29(25,26)6/h14,19-20,23-27H,7-13,15-18H2,1-6H3/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey WJDXLOJEAFXKBN-MEKCMURWSA-N
Molecular Weight 412.702 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC=C(C(=O)C)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-03di-0001900000-32f8094055c87c26cbc5
Source of Spectrum AJ-60-1844-16
Synonyms Ethanone, 1-[(5.alpha.)-cholest-2-en-3-yl]- Ketone, 5.alpha.-cholest-2-en-3-yl methyl 1-Cholest-2-en-3-ylethanone 3-Acetylcholestene
Wiley ID 1374848