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5,16-BETA-DIHYDROXY-6-OXO-5-ALPHA-DINORCHOL-2-ENIC-ACID-22->16-LACTONE
SpectraBase Compound ID Kiok5lgSTGH
InChI InChI=1S/C22H30O4/c1-12-18-16(26-19(12)24)11-15-13-10-17(23)22(25)8-5-4-7-21(22,3)14(13)6-9-20(15,18)2/h4-5,12-16,18,25H,6-11H2,1-3H3/t12-,13+,14-,15-,16-,18-,20-,21+,22-/m0/s1
InChIKey MLLRNPKLBXLQLX-XRMUQINMSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dyQnhN0E2d
Name 5,16-BETA-DIHYDROXY-6-OXO-5-ALPHA-DINORCHOL-2-ENIC-ACID-22->16-LACTONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-12-18-16(26-19(12)24)11-15-13-10-17(23)22(25)8-5-4-7-21(22,3)14(13)6-9-20(15,18)2/h4-5,12-16,18,25H,6-11H2,1-3H3/t12-,13+,14-,15-,16-,18-,20-,21+,22-/m0/s1
InChIKey MLLRNPKLBXLQLX-XRMUQINMSA-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 358.478 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU78586