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Methyl trisnor-5.alpha.-cholestan-3-on-24-oate
SpectraBase Compound ID BZ0KlpqtTBC
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16-,17+,19+,20?,21?,22?,24+,25-/m1/s1
InChIKey SRLWMUQGWKOYLX-MNRZSCCKSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3seRbhFqmPC
Name Methyl trisnor-5.alpha.-cholestan-3-on-24-oate
Alternate Name(s) Methyl (5alpha)-3-oxocholan-24-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16-,17+,19+,20?,21?,22?,24+,25-/m1/s1
InChIKey SRLWMUQGWKOYLX-MNRZSCCKSA-N
Molecular Weight 388.592 g/mol
SMILES [C@@]12(C([C@@]3(CC[C@@]4([C@@](C3CC2)(CCC(=O)C4)C)[H])[H])CCC1[C@@](CCC(=O)OC)(C)[H])C
SPLASH splash10-001j-0972000000-a5cef0abb2f78078985b
Source of Spectrum KO-6-341-2
Wiley ID 1364113