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17Beta-acetoxy-A-homo-5alpha-estran-4-one

View entire compound with spectra: 1 NMR, and 1 FTIR

17Beta-acetoxy-A-homo-5alpha-estran-4-one
SpectraBase Compound ID 7v6VJUWJcvN
InChI InChI=1S/C21H32O3/c1-13(22)24-20-9-8-19-18-7-6-14-12-15(23)4-3-5-16(14)17(18)10-11-21(19,20)2/h14,16-20H,3-12H2,1-2H3
InChIKey FDJCIZHLYOPJJT-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K34oiiU2YfF
Name 17Beta-acetoxy-A-homo-5alpha-estran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-20-9-8-19-18-7-6-14-12-15(23)4-3-5-16(14)17(18)10-11-21(19,20)2/h14,16-20H,3-12H2,1-2H3
InChIKey FDJCIZHLYOPJJT-UHFFFAOYSA-N
Molecular Weight 332.484 g/mol
SMILES C12C(CCC3C2CCC2(C3CCC2OC(=O)C)C)CC(CCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89487