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7-Hydroxy-pregna-4-ene-3-one-20-carbaldehyde

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

7-Hydroxy-pregna-4-ene-3-one-20-carbaldehyde
SpectraBase Compound ID JerzyPejoXm
InChI InChI=1S/C22H32O3/c1-13(12-23)16-4-5-17-20-18(7-9-22(16,17)3)21(2)8-6-15(24)10-14(21)11-19(20)25/h10,12-13,16-20,25H,4-9,11H2,1-3H3
InChIKey ALHATGQVHVESGQ-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AszyDs5UXvB
Name 7-Hydroxy-pregna-4-ene-3-one-20-carbaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.235144887 u
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-13(12-23)16-4-5-17-20-18(7-9-22(16,17)3)21(2)8-6-15(24)10-14(21)11-19(20)25/h10,12-13,16-20,25H,4-9,11H2,1-3H3
InChIKey ALHATGQVHVESGQ-UHFFFAOYSA-N
Molecular Weight 344.495 g/mol
SMILES C1(CCC2(C(=C1)CC(C1C2CCC2(C1CCC2C(C)C=O)C)O)C)=O