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2,3-Dimethoxyestra-1(10),2,4-trien-17-yl acetate

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

2,3-Dimethoxyestra-1(10),2,4-trien-17-yl acetate
SpectraBase Compound ID 4V2EH4yCgeD
InChI InChI=1S/C22H30O4/c1-13(23)26-21-8-7-18-16-6-5-14-11-19(24-3)20(25-4)12-17(14)15(16)9-10-22(18,21)2/h11-12,15-16,18,21H,5-10H2,1-4H3
InChIKey RTQRMTWBAFCNEM-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSm6V4cdgau
Name 2,3-Dimethoxyestra-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 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13(23)26-21-8-7-18-16-6-5-14-11-19(24-3)20(25-4)12-17(14)15(16)9-10-22(18,21)2/h11-12,15-16,18,21H,5-10H2,1-4H3
InChIKey RTQRMTWBAFCNEM-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES CC(=O)OC1CCC2C3CCC4=CC(=C(C=C4C3CCC12C)OC)OC