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3-Acetoxy-17-acetyl-5,7,9(10)-estratriene

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

3-Acetoxy-17-acetyl-5,7,9(10)-estratriene
SpectraBase Compound ID 8pyvM03HNWb
InChI InChI=1S/C22H28O3/c1-13(23)20-8-9-21-19-6-4-15-12-16(25-14(2)24)5-7-17(15)18(19)10-11-22(20,21)3/h4,6,16,20-21H,5,7-12H2,1-3H3
InChIKey DAHMDSBZSXQKFA-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BP1gfNRDSBs
Name 3-Acetoxy-17-acetyl-5,7,9(10)-estratriene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.203844759 u
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-13(23)20-8-9-21-19-6-4-15-12-16(25-14(2)24)5-7-17(15)18(19)10-11-22(20,21)3/h4,6,16,20-21H,5,7-12H2,1-3H3
InChIKey DAHMDSBZSXQKFA-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES C1C2C(C)(CCC3=C2C=CC2=C3CCC(C2)OC(C)=O)C(C1)C(=O)C