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(22E)-4-Methylstigmast-22-en-3-one

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

(22E)-4-Methylstigmast-22-en-3-one
SpectraBase Compound ID 1ZjU6t4WLws
InChI InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+
InChIKey CPQFPUUOHHSXBC-MDZDMXLPSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaLEcS2JyNX
Name (22E)-4-Methylstigmast-22-en-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.386166229 u
Formula C30H50O
InChI InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+
InChIKey CPQFPUUOHHSXBC-MDZDMXLPSA-N
Molecular Weight 426.729 g/mol
SMILES C1(CCC2(C(C1C)CCC1C2CCC2(C1CCC2C(C)\C=C\C(C(C)C)CC)C)C)=O