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3-Hydroxy-18-nor-D-homoestra-1,3,5(10)-trien-17A-one (9.beta.,14.beta.)

View entire compound with spectra: 1 NMR

3-Hydroxy-18-nor-D-homoestra-1,3,5(10)-trien-17A-one (9.beta.,14.beta.)
SpectraBase Compound ID 9Wkde0h6KJW
InChI InChI=1S/C18H22O2/c19-12-5-7-13-11(10-12)4-6-16-14-2-1-3-18(20)17(14)9-8-15(13)16/h5,7,10,14-17,19H,1-4,6,8-9H2
InChIKey RLLSGWDHCKEDIG-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4w3N2gqoWIy
Name 3-Hydroxy-18-nor-D-homoestra-1,3,5(10)-trien-17A-one (9.beta.,14.beta.)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.161979946 u
Formula C18H22O2
InChI InChI=1S/C18H22O2/c19-12-5-7-13-11(10-12)4-6-16-14-2-1-3-18(20)17(14)9-8-15(13)16/h5,7,10,14-17,19H,1-4,6,8-9H2
InChIKey RLLSGWDHCKEDIG-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES C12=CC(=CC=C2C2C(CC1)C1C(C(CCC1)=O)CC2)O