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11b,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione

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11b,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione
SpectraBase Compound ID 9ehZdQ0QCnz
InChI InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3
InChIKey OIGNJSKKLXVSLS-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOJQSyXjWMK
Name 11b,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione
CAS Registry Number 50-24-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3
InChIKey OIGNJSKKLXVSLS-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6