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3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl acetate

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

3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl acetate
SpectraBase Compound ID DTaxno56gcE
InChI InChI=1S/C21H28O4/c1-12(22)25-20-7-6-17-15-5-4-13-10-18(23)19(24-3)11-16(13)14(15)8-9-21(17,20)2/h10-11,14-15,17,20,23H,4-9H2,1-3H3
InChIKey FNDJSFVQDASQOM-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dxqZl9EU3L
Name 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-20-7-6-17-15-5-4-13-10-18(23)19(24-3)11-16(13)14(15)8-9-21(17,20)2/h10-11,14-15,17,20,23H,4-9H2,1-3H3
InChIKey FNDJSFVQDASQOM-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C12=C(C=C(C(=C2)O)OC)C2C(CC1)C1C(CC2)(C(CC1)OC(C)=O)C