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2-ALPHA,3-BETA-DIACETOXYPREGNAN-16-ONE-2-BETA,19-HEMIKETAL
SpectraBase Compound ID BSmF01u91e6
InChI InChI=1S/C25H36O6/c1-5-18-21(28)11-20-17-7-6-16-10-22(30-14(2)26)25(31-15(3)27)12-24(16,13-29-25)19(17)8-9-23(18,20)4/h16-20,22H,5-13H2,1-4H3/t16?,17?,18-,19?,20?,22+,23+,24+,25+/m0/s1
InChIKey ODKKQQNHCONUGL-CPCXGSQNSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lh0KQ8p71ri
Name 2-ALPHA,3-BETA-DIACETOXYPREGNAN-16-ONE-2-BETA,19-HEMIKETAL
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-5-18-21(28)11-20-17-7-6-16-10-22(30-14(2)26)25(31-15(3)27)12-24(16,13-29-25)19(17)8-9-23(18,20)4/h16-20,22H,5-13H2,1-4H3/t16?,17?,18-,19?,20?,22+,23+,24+,25+/m0/s1
InChIKey ODKKQQNHCONUGL-CPCXGSQNSA-N
Literature Reference Author M.T.PUPO,P.C.VIEIRA,J.B.FERNANDES,M.F.D.G.F.DASILVA,E.R.FO
Literature Reference Citation PHYTOCHEM.,45,1495(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00167-2
Molecular Weight 432.557 g/mol
Solvent CDCl3
Source File Reference UWSP303