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

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

3-(Cyclopentyloxy)estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID lipLJNafLt
InChI InChI=1S/C23H30O2/c1-23-13-12-19-18-9-7-17(25-16-4-2-3-5-16)14-15(18)6-8-20(19)21(23)10-11-22(23)24/h7,9,14,16,19-21H,2-6,8,10-13H2,1H3/t19-,20-,21+,23+/m1/s1
InChIKey JUADDWTVTBNLRK-JFYQVNSESA-N
Mol Weight 338.49 g/mol
Molecular Formula C23H30O2
Exact Mass 338.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7spyHU9h8nV
Name 3-(Cyclopentyloxy)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 338.224580204 u
Formula C23H30O2
InChI InChI=1S/C23H30O2/c1-23-13-12-19-18-9-7-17(25-16-4-2-3-5-16)14-15(18)6-8-20(19)21(23)10-11-22(23)24/h7,9,14,16,19-21H,2-6,8,10-13H2,1H3/t19-,20-,21+,23+/m1/s1
InChIKey JUADDWTVTBNLRK-JFYQVNSESA-N
Molecular Weight 338.491 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC2CCCC2)=C4)[H])(CCC1=O)[H])C