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3.beta.-Acetoxy-5,7,9-estratrien-17-yl propionate

View entire compound with spectra: 1 NMR

3.beta.-Acetoxy-5,7,9-estratrien-17-yl propionate
SpectraBase Compound ID 4oeB25VvPMc
InChI InChI=1S/C23H30O4/c1-4-22(25)27-21-10-9-20-19-7-5-15-13-16(26-14(2)24)6-8-17(15)18(19)11-12-23(20,21)3/h5,7,16,20-21H,4,6,8-13H2,1-3H3
InChIKey XWMLKPVMCDDXGD-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0cZ520bd6N
Name 3.beta.-Acetoxy-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 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-4-22(25)27-21-10-9-20-19-7-5-15-13-16(26-14(2)24)6-8-17(15)18(19)11-12-23(20,21)3/h5,7,16,20-21H,4,6,8-13H2,1-3H3
InChIKey XWMLKPVMCDDXGD-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C1(CCC=2C(C1)=CC=C1C2CCC2(C1CCC2OC(CC)=O)C)OC(C)=O