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3-(Pronanoyloxy)-estra-1,3,5(10)-trien-17-one

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

3-(Pronanoyloxy)-estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID DNHqCLgSh4L
InChI InChI=1S/C21H26O3/c1-3-20(23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-21(2)18(17)8-9-19(21)22/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3
InChIKey ROFBJLDRYQWJFI-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31lwxflQZXF
Name 3-(Pronanoyloxy)-estra-1,3,5(10)-trien-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-3-20(23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-21(2)18(17)8-9-19(21)22/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3
InChIKey ROFBJLDRYQWJFI-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C1(=CC2=C(C=C1)C1C(CC2)C2C(CC1)(C(=O)CC2)C)OC(CC)=O