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3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-ANDROSTANE
SpectraBase Compound ID B2an2cHn3w2
InChI InChI=1S/C21H30O5/c1-13(23)26-14-6-9-21(3,19(25)12-14)17-7-10-20(2)16(4-5-18(20)24)15(17)8-11-22/h11,14-17H,4-10,12H2,1-3H3/t14-,15-,16-,17-,20-,21+/m0/s1
InChIKey BRYZICWFBLNRSD-NQDKFLQJSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cW1uLFPGep
Name 3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-ANDROSTANE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-13(23)26-14-6-9-21(3,19(25)12-14)17-7-10-20(2)16(4-5-18(20)24)15(17)8-11-22/h11,14-17H,4-10,12H2,1-3H3/t14-,15-,16-,17-,20-,21+/m0/s1
InChIKey BRYZICWFBLNRSD-NQDKFLQJSA-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 362.466 g/mol
Sample ID 70671
Solvent CDCl3