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15-BETA-ETHYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17-ONE
SpectraBase Compound ID 1TNXCpqVspx
InChI InChI=1S/C21H28O2/c1-4-13-12-19(22)21(2)10-9-17-16-8-6-15(23-3)11-14(16)5-7-18(17)20(13)21/h6,8,11,13,17-18,20H,4-5,7,9-10,12H2,1-3H3/t13-,17-,18-,20+,21-/m1/s1
InChIKey GAZKSOIRITUGGG-PDGIXKCNSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I44uIxVTj5x
Name 15-BETA-ETHYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17-ONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-4-13-12-19(22)21(2)10-9-17-16-8-6-15(23-3)11-14(16)5-7-18(17)20(13)21/h6,8,11,13,17-18,20H,4-5,7,9-10,12H2,1-3H3/t13-,17-,18-,20+,21-/m1/s1
InChIKey GAZKSOIRITUGGG-PDGIXKCNSA-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 312.452 g/mol
Solvent CDCl3
Source File Reference UWCS20677