John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ICqbPcpWG9z SpectraBase Spectrum ID=2a1aue8VoCL

(accessed ).
PREGN-4-EN-9-ALPHA,14-ALPHA-DIOL-3,20-DIONE
SpectraBase Compound ID ICqbPcpWG9z
InChI InChI=1S/C21H30O4/c1-13(22)16-7-9-20(24)17-5-4-14-12-15(23)6-8-18(14,2)21(17,25)11-10-19(16,20)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey RYHHDVXAICNHJH-XHCJJCCMSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.21441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a1aue8VoCL
Name PREGN-4-EN-9-ALPHA,14-ALPHA-DIOL-3,20-DIONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(22)16-7-9-20(24)17-5-4-14-12-15(23)6-8-18(14,2)21(17,25)11-10-19(16,20)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey RYHHDVXAICNHJH-XHCJJCCMSA-N
Literature Reference Author H.L.HOLLAND,E.RIEMLAND
Literature Reference Citation CAN.J.CHEM.,63,1121(1985)
Literature Reference DOI 10.1139/v85-190
Molecular Weight 346.467 g/mol
Solvent CDCl3
Source File Reference UWED5776
SpectraBase Batch ID AcgJzIM1uO2