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Cholest-4-en-3-one, 14-methyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cholest-4-en-3-one, 14-methyl-
SpectraBase Compound ID HkuR8mDjIvQ
InChI InChI=1S/C28H46O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h18-20,23-25H,7-17H2,1-6H3
InChIKey RDTTVPPCPZTOLJ-UHFFFAOYSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4ef5BpzXAR
Name Cholest-4-en-3-one, 14-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.354866100 u
Formula C28H46O
InChI InChI=1S/C28H46O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h18-20,23-25H,7-17H2,1-6H3
InChIKey RDTTVPPCPZTOLJ-UHFFFAOYSA-N
Molecular Weight 398.675 g/mol
SMILES [C@@]12(C)[C@]3([C@@]([C@]4(C)C(CC3)=CC(CC4)=O)(CC[C@]2(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC1)[H])[H])[H]