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Pregn-14-en-3-one, 20-hydroxy-, ethylene acetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Pregn-14-en-3-one, 20-hydroxy-, ethylene acetal
SpectraBase Compound ID 4j6wP4uNyrV
InChI InChI=1S/C23H36O3/c1-15(24)18-6-7-19-17-5-4-16-14-23(25-12-13-26-23)11-10-21(16,2)20(17)8-9-22(18,19)3/h7,15-18,20,24H,4-6,8-14H2,1-3H3
InChIKey RRZXEALOLSLHRG-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDKiDMJRTN6
Name Pregn-14-en-3-one, 20-hydroxy-, ethylene acetal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-15(24)18-6-7-19-17-5-4-16-14-23(25-12-13-26-23)11-10-21(16,2)20(17)8-9-22(18,19)3/h7,15-18,20,24H,4-6,8-14H2,1-3H3
InChIKey RRZXEALOLSLHRG-UHFFFAOYSA-N
Molecular Weight 360.538 g/mol
SMILES C1COC2(O1)CC1CCC3C4=CCC(C4(C)CCC3C1(C)CC2)C(O)C