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Methyl 3-methoxyestra-1,3,5(10),16-tetraene-17-carboxylate

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

Methyl 3-methoxyestra-1,3,5(10),16-tetraene-17-carboxylate
SpectraBase Compound ID Ku4esA5d1a7
InChI InChI=1S/C21H26O3/c1-21-11-10-16-15-7-5-14(23-2)12-13(15)4-6-17(16)18(21)8-9-19(21)20(22)24-3/h5,7,9,12,16-18H,4,6,8,10-11H2,1-3H3/t16-,17-,18+,21+/m1/s1
InChIKey KKHKFIUPKFHGLM-WIRSXHRWSA-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 Hu7bvWuNHXg
Name Methyl 3-methoxyestra-1,3,5(10),16-tetraene-17-carboxylate
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/c1-21-11-10-16-15-7-5-14(23-2)12-13(15)4-6-17(16)18(21)8-9-19(21)20(22)24-3/h5,7,9,12,16-18H,4,6,8,10-11H2,1-3H3/t16-,17-,18+,21+/m1/s1
InChIKey KKHKFIUPKFHGLM-WIRSXHRWSA-N
Molecular Weight 326.436 g/mol
SMILES C=1(C=CC=2[C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCC2C1)[H])[H])C(=O)OC)C)[H])OC