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2-ALPHA,3-ALPHA,4-BETA-TRIACETOXYPREGNAN-16-ONE
SpectraBase Compound ID E6YWcp6CYAL
InChI InChI=1S/C27H40O7/c1-7-18-22(31)12-21-17-8-9-20-24(33-15(3)29)25(34-16(4)30)23(32-14(2)28)13-27(20,6)19(17)10-11-26(18,21)5/h17-21,23-25H,7-13H2,1-6H3/t17?,18-,19?,20?,21?,23+,24+,25+,26+,27+/m0/s1
InChIKey PLZPNDBFLGCZTJ-QVEZUDIUSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pDOPQYTNoa
Name 2-ALPHA,3-ALPHA,4-BETA-TRIACETOXYPREGNAN-16-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O7
InChI InChI=1S/C27H40O7/c1-7-18-22(31)12-21-17-8-9-20-24(33-15(3)29)25(34-16(4)30)23(32-14(2)28)13-27(20,6)19(17)10-11-26(18,21)5/h17-21,23-25H,7-13H2,1-6H3/t17?,18-,19?,20?,21?,23+,24+,25+,26+,27+/m0/s1
InChIKey PLZPNDBFLGCZTJ-QVEZUDIUSA-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 476.610 g/mol
Solvent CDCl3
Source File Reference UWSP308