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3-BETA,11-ALPHA-DIACETOXY-5-ALPHA-PREGN-16-EN-20-ONE
SpectraBase Compound ID BdMTec9yMZg
InChI InChI=1S/C25H36O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)23(19)22(30-16(3)28)13-25(20,21)5/h8,17-19,21-23H,6-7,9-13H2,1-5H3/t17-,18-,19-,21-,22+,23+,24-,25+/m0/s1
InChIKey JXHPKWOWZYZFSE-KBIIYVLJSA-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 9TGAUlTL3kW
Name 3-BETA,11-ALPHA-DIACETOXY-5-ALPHA-PREGN-16-EN-20-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)23(19)22(30-16(3)28)13-25(20,21)5/h8,17-19,21-23H,6-7,9-13H2,1-5H3/t17-,18-,19-,21-,22+,23+,24-,25+/m0/s1
InChIKey JXHPKWOWZYZFSE-KBIIYVLJSA-N
Literature Reference Author J.A.R.GARCIA,F.A.V.NAVARRO,H.T.V.CASTRO
Literature Reference Citation MAGN.RES.CHEM.,32,547(1994)
Literature Reference DOI 10.1002/mrc.1260320909
Molecular Weight 416.558 g/mol
Solvent CDCl3
Source File Reference UWCP876