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3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-PREGNANE
SpectraBase Compound ID IQEEZnNCa2P
InChI InChI=1S/C23H34O5/c1-14(25)18-5-6-19-17(9-12-24)20(8-11-22(18,19)3)23(4)10-7-16(13-21(23)27)28-15(2)26/h12,16-20H,5-11,13H2,1-4H3/t16-,17-,18+,19-,20-,22+,23+/m0/s1
InChIKey SRDKZLZZOLBNRS-DHOMQTEJSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ep0lEA2uPWz
Name 3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-PREGNANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-14(25)18-5-6-19-17(9-12-24)20(8-11-22(18,19)3)23(4)10-7-16(13-21(23)27)28-15(2)26/h12,16-20H,5-11,13H2,1-4H3/t16-,17-,18+,19-,20-,22+,23+/m0/s1
InChIKey SRDKZLZZOLBNRS-DHOMQTEJSA-N
Literature Reference Author C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI
Literature Reference Citation STEROIDS,77,1061(2012)
Literature Reference DOI 10.1016/j.steroids.2012.05.005
Molecular Weight 390.520 g/mol
Sample ID 70672
Solvent CDCl3