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3-ACETOXY-9-ALPHA-HYDROXY-1,3,5(10)-ESTRATRIEN-17-ONE
SpectraBase Compound ID KlsmoG5WjYE
InChI InChI=1S/C20H24O4/c1-12(21)24-14-4-6-15-13(11-14)3-5-17-16-7-8-18(22)19(16,2)9-10-20(15,17)23/h4,6,11,16-17,23H,3,5,7-10H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKey RJQSEQGOXXBLMN-WXDAQCLHSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsaCeTWe0I5
Name 3-ACETOXY-9-ALPHA-HYDROXY-1,3,5(10)-ESTRATRIEN-17-ONE
CAS Registry Number 94686-78-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-12(21)24-14-4-6-15-13(11-14)3-5-17-16-7-8-18(22)19(16,2)9-10-20(15,17)23/h4,6,11,16-17,23H,3,5,7-10H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKey RJQSEQGOXXBLMN-WXDAQCLHSA-N
Literature Reference Author P.BOVICELLI,P.LUPATTELLI,E.MINCIONE,T.PRENCIPE,R.CURCI
Literature Reference Citation J.ORG.CHEM.,57,2182(1992)
Literature Reference DOI 10.1021/jo00033a053
Molecular Weight 328.408 g/mol
Solvent CDCl3
Source File Reference UWCS498