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20-BETA-HYDROXY-21-ACETYLPREGNA-4,6-DIEN-3-ONE
SpectraBase Compound ID FbhmBWd8bua
InChI InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4-5,12,17-21,26H,6-11,13H2,1-3H3/t17?,18?,19?,20-,21+,22+,23+/m1/s1
InChIKey BIEXKSLTFPOJHF-YDVKCTKDSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsSmo2gLjTv
Name 20-BETA-HYDROXY-21-ACETYLPREGNA-4,6-DIEN-3-ONE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4-5,12,17-21,26H,6-11,13H2,1-3H3/t17?,18?,19?,20-,21+,22+,23+/m1/s1
InChIKey BIEXKSLTFPOJHF-YDVKCTKDSA-N
Literature Reference Author M.C.ROY,F.R.CHANG,H.C.HUANG,M.Y.N.CHIANG,Y.C.WU
Literature Reference Citation J.NAT.PROD.,68,1494(2005)
Literature Reference DOI 10.1021/np0501740
Molecular Weight 372.505 g/mol
Solvent CDCl3
Source File Reference UWMZ13213