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5.alpha.-Cholest-22-en-16-one, (Z)-

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

5.alpha.-Cholest-22-en-16-one, (Z)-
SpectraBase Compound ID 74jJa4euQ8B
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h8,10,18-23,25H,6-7,9,11-17H2,1-5H3/b10-8-
InChIKey LSZPVTKRHUBUAV-NTMALXAHSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eg7I81Coo6
Name 5.alpha.-Cholest-22-en-16-one, (Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.339216036 u
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h8,10,18-23,25H,6-7,9,11-17H2,1-5H3/b10-8-
InChIKey LSZPVTKRHUBUAV-NTMALXAHSA-N
Molecular Weight 384.648 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(CCCC2)[H])[H])[H])(CC([C@@]1([C@@](\C=C/CC(C)C)(C)[H])[H])=O)[H]