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IMPURITY-2;17-ALPHA-ACETOXY-2-ALPHA,6-DIMETHYLPREGNA-4,6-DIENE-3,20-DIONE
SpectraBase Compound ID JFtxm3FJ2ZU
InChI InChI=1S/C25H34O4/c1-14-11-18-19(23(5)13-15(2)22(28)12-21(14)23)7-9-24(6)20(18)8-10-25(24,16(3)26)29-17(4)27/h11-12,15,18-20H,7-10,13H2,1-6H3/t15-,18-,19+,20+,23-,24+,25+/m1/s1
InChIKey AQMUMBCTNJGBGC-YXWFNBJOSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1jDPX4Gc30
Name IMPURITY-2;17-ALPHA-ACETOXY-2-ALPHA,6-DIMETHYLPREGNA-4,6-DIENE-3,20-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-14-11-18-19(23(5)13-15(2)22(28)12-21(14)23)7-9-24(6)20(18)8-10-25(24,16(3)26)29-17(4)27/h11-12,15,18-20H,7-10,13H2,1-6H3/t15-,18-,19+,20+,23-,24+,25+/m1/s1
InChIKey AQMUMBCTNJGBGC-YXWFNBJOSA-N
Literature Reference Author F.GUO,H.FENG,Y.WANG,C.ZHANG,Y.LI
Literature Reference Citation J.PHARM.BIOM.ANAL.,41,1418(2006)
Literature Reference DOI 10.1016/j.jpba.2006.02.048
Molecular Weight 398.543 g/mol
Solvent CDCl3
Source File Reference UWDB68