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2-ALPHA,3-ALPHA,5,16-BETA-TETRAHYDROXY-6-OXO-5-ALPHA-DINORCHOLANIC-ACID-22->16-LACTONE
SpectraBase Compound ID oSmIS5w0xW
InChI InChI=1S/C22H32O6/c1-10-18-16(28-19(10)26)7-13-11-6-17(25)22(27)9-15(24)14(23)8-21(22,3)12(11)4-5-20(13,18)2/h10-16,18,23-24,27H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16-,18-,20-,21+,22-/m0/s1
InChIKey WRAIKMGSVDLREQ-AQKYWCSDSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lmp3DxV8nw7
Name 2-ALPHA,3-ALPHA,5,16-BETA-TETRAHYDROXY-6-OXO-5-ALPHA-DINORCHOLANIC-ACID-22->16-LACTONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-10-18-16(28-19(10)26)7-13-11-6-17(25)22(27)9-15(24)14(23)8-21(22,3)12(11)4-5-20(13,18)2/h10-16,18,23-24,27H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16-,18-,20-,21+,22-/m0/s1
InChIKey WRAIKMGSVDLREQ-AQKYWCSDSA-N
Literature Reference Author A.ROSSADO-ABON,G.DEDIOS-BRAVO,R.RODRIGUEZ-SOTRES,M.A.ILESIAS -ARTEAGA
Literature Reference Citation J.ST.BIO.MOL.BIOL.,134,45(2013)
Literature Reference DOI 10.1016/j.jsbmb.2012.10.007
Molecular Weight 392.492 g/mol
Solvent DMSO-D6
Source File Reference UWLU78587