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3-METHOXY-15-BETA-METHYL-ESTRA-1,3,5(10)-TRIEN-17-ONE
SpectraBase Compound ID 7YYC7udrr9a
InChI InChI=1S/C20H26O2/c1-12-10-18(21)20(2)9-8-16-15-7-5-14(22-3)11-13(15)4-6-17(16)19(12)20/h5,7,11-12,16-17,19H,4,6,8-10H2,1-3H3/t12-,16-,17-,19+,20-/m1/s1
InChIKey HYEWOCXEYGELEE-ZDHFLTGISA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2I1CnvAXbH
Name 3-METHOXY-15-BETA-METHYL-ESTRA-1,3,5(10)-TRIEN-17-ONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12-10-18(21)20(2)9-8-16-15-7-5-14(22-3)11-13(15)4-6-17(16)19(12)20/h5,7,11-12,16-17,19H,4,6,8-10H2,1-3H3/t12-,16-,17-,19+,20-/m1/s1
InChIKey HYEWOCXEYGELEE-ZDHFLTGISA-N
Literature Reference Author J.R.BULL,M.C.LOEDOLFF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1269(1996)
Literature Reference DOI 10.1039/p19960001269
Molecular Weight 298.425 g/mol
Solvent CDCl3
Source File Reference UWCS20675