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IMPURITY-3;17-ALPHA-ACETOXY-6-ALPHA-METHOXYLMETHYL-PREGNA-4-ENE-3,20-DIONE
SpectraBase Compound ID 1niEXsacmdo
InChI InChI=1S/C25H36O5/c1-15(26)25(30-16(2)27)11-8-21-19-12-17(14-29-5)22-13-18(28)6-9-23(22,3)20(19)7-10-24(21,25)4/h13,17,19-21H,6-12,14H2,1-5H3/t17-,19-,20+,21+,23-,24+,25+/m1/s1
InChIKey XRNYLPFTDTVWHQ-LFOLYIHASA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxWWiuhae2x
Name IMPURITY-3;17-ALPHA-ACETOXY-6-ALPHA-METHOXYLMETHYL-PREGNA-4-ENE-3,20-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-15(26)25(30-16(2)27)11-8-21-19-12-17(14-29-5)22-13-18(28)6-9-23(22,3)20(19)7-10-24(21,25)4/h13,17,19-21H,6-12,14H2,1-5H3/t17-,19-,20+,21+,23-,24+,25+/m1/s1
InChIKey XRNYLPFTDTVWHQ-LFOLYIHASA-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 416.558 g/mol
Solvent CDCl3
Source File Reference UWDB69