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4-Pregnen-17,20β,21-triol-3,11-dione

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4-Pregnen-17,20β,21-triol-3,11-dione
SpectraBase Compound ID LiqxjxXzhCH
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
InChIKey XBIDABJJGYNJTK-GNIMZFFESA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qrLMJaJUKy
Name 17-ALPHA,20S,21-TRIHYDROXY-PREGN-4-ENE-3,11-DIONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
InChIKey XBIDABJJGYNJTK-GNIMZFFESA-N
Literature Reference Author P.C.PEART,K.P.MCCOOK,F.A.RUSSELL,W.F.REYNOLDS,P.B.REESE
Literature Reference Citation STEROIDS,76,1317(2011)
Literature Reference DOI 10.1016/j.steroids.2011.06.010
Molecular Weight 362.466 g/mol
Sample ID 968845
Solvent CDCl3