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2.alpha.,3.beta.,12.beta.-Trihydroxy-pregna-4,7,16-trien-20-one

View entire compound with spectra: 1 NMR

2.alpha.,3.beta.,12.beta.-Trihydroxy-pregna-4,7,16-trien-20-one
SpectraBase Compound ID RU7oh9ZKIv
InChI InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3
InChIKey IWQKGRNFKYKJHS-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DM2nwIIXtR
Name 2.alpha.,3.beta.,12.beta.-Trihydroxy-pregna-4,7,16-trien-20-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3
InChIKey IWQKGRNFKYKJHS-UHFFFAOYSA-N
Instrument Name SF = 360 MHz
Literature Reference J. Nat. Products 50, 63 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3