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3-Hydroxy-5,7,9-estratrien-17-yl propionate

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

3-Hydroxy-5,7,9-estratrien-17-yl propionate
SpectraBase Compound ID 24zeZWiSl9X
InChI InChI=1S/C21H28O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h4,6,14,18-19,22H,3,5,7-12H2,1-2H3
InChIKey BIDHPSWKXXKYJY-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkXP2VbI6fu
Name 3-Hydroxy-5,7,9-estratrien-17-yl propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h4,6,14,18-19,22H,3,5,7-12H2,1-2H3
InChIKey BIDHPSWKXXKYJY-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES C1CC(OC(CC)=O)C2(C1C1=CC=C3C(=C1CC2)CCC(C3)O)C