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(3E,9E)-5,8-DIOXO-5,10:8,9-DISECOANDROSTA-3,9-DIEN-17-BETA-YL-ACETATE
SpectraBase Compound ID GiRYi5AWWvo
InChI InChI=1S/C21H30O4/c1-15-7-4-5-9-17(23)10-12-19(24)18-11-13-20(25-16(2)22)21(18,3)14-6-8-15/h5,8-9,18,20H,4,6-7,10-14H2,1-3H3/b9-5-,15-8+/t18?,20-,21-/m0/s1
InChIKey IWRKQASMWQNWTD-RORITHDXSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zP7whiG8nw
Name (3E,9E)-5,8-DIOXO-5,10:8,9-DISECOANDROSTA-3,9-DIEN-17-BETA-YL-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-15-7-4-5-9-17(23)10-12-19(24)18-11-13-20(25-16(2)22)21(18,3)14-6-8-15/h5,8-9,18,20H,4,6-7,10-14H2,1-3H3/b9-5-,15-8+/t18?,20-,21-/m0/s1
InChIKey IWRKQASMWQNWTD-RORITHDXSA-N
Literature Reference Author L.LORENC,L.BONDARENKO,V.PAVLOVIC,H.FUHRER,G.RIHS,J.KALVODA,M .L.MIHAILOVIC
Literature Reference Citation HELV.CHIM.ACTA,72,608(1989)
Literature Reference DOI 10.1002/hlca.19890720320
Molecular Weight 346.467 g/mol
Solvent CDCl3
Source File Reference UWED12336