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3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-yl acetate

View entire compound with spectra: 2 NMR

3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-yl acetate
SpectraBase Compound ID GSQfB7e3CMZ
InChI InChI=1S/C29H34O4/c1-18(30)33-28-21(15-19-5-8-22(31-3)9-6-19)17-27-26-11-7-20-16-23(32-4)10-12-24(20)25(26)13-14-29(27,28)2/h5-6,8-10,12,15-16,25-28H,7,11,13-14,17H2,1-4H3/b21-15+
InChIKey JPPVXERJZNMYHM-RCCKNPSSSA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H34O4
Exact Mass 446.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQeF377pb23
Name 3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.245709571 u
Formula C29H34O4
InChI InChI=1S/C29H34O4/c1-18(30)33-28-21(15-19-5-8-22(31-3)9-6-19)17-27-26-11-7-20-16-23(32-4)10-12-24(20)25(26)13-14-29(27,28)2/h5-6,8-10,12,15-16,25-28H,7,11,13-14,17H2,1-4H3/b21-15+
InChIKey JPPVXERJZNMYHM-RCCKNPSSSA-N
Molecular Weight 446.587 g/mol
SMILES C12(C(C3CCC=4C(C3CC2)=CC=C(OC)C4)C\C(C1OC(=O)C)=C/C1=CC=C(C=C1)OC)C