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24-Cholanal, 3,12-dioxo-24-phenyl-

View entire compound with spectra: 1 NMR

24-Cholanal, 3,12-dioxo-24-phenyl-
SpectraBase Compound ID FPf6wpgb685
InChI InChI=1S/C30H40O3/c1-19(9-14-27(32)20-7-5-4-6-8-20)24-12-13-25-23-11-10-21-17-22(31)15-16-29(21,2)26(23)18-28(33)30(24,25)3/h4-8,19,21,23-26H,9-18H2,1-3H3
InChIKey XTTJFGIJEAZCFJ-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C30H40O3
Exact Mass 448.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmgV1rNK9oR
Name 24-Cholanal, 3,12-dioxo-24-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.297745145 u
Formula C30H40O3
InChI InChI=1S/C30H40O3/c1-19(9-14-27(32)20-7-5-4-6-8-20)24-12-13-25-23-11-10-21-17-22(31)15-16-29(21,2)26(23)18-28(33)30(24,25)3/h4-8,19,21,23-26H,9-18H2,1-3H3
InChIKey XTTJFGIJEAZCFJ-UHFFFAOYSA-N
Molecular Weight 448.647 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(C)CCC(C1=CC=CC=C1)=O)C)C)=O