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4-Pregnen-11β,17,20α,21-tetrol-3-one
SpectraBase Compound ID 57cbEOZckOj
InChI InChI=1S/C21H32O5/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/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey AWWCEQOCFFQUKS-FJWDNACWSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKtnbZwz1Ag
Name 11-BETA,17-ALPHA,20-BETA,21-TETRAHYDROXY-PREGN-4-EN-3-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/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/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey AWWCEQOCFFQUKS-FJWDNACWSA-N
Literature Reference Author Y.GHASEMI,S.RASOUL-AMINI,M.H.MOROWVAT,M.J.RAEE,M.B.GHOSHOON, F.NOURI,N.NEGINTAJI,
Literature Reference Citation MOLECULES,13,2416(2008)
Literature Reference DOI 10.3390/molecules13102416
Molecular Weight 364.482 g/mol
Sample ID 56700
Solvent CDCl3