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2.alpha.,3.alpha.,4.beta.-Trihydroxypregnan-16-one
SpectraBase Compound ID 4eYMFNrid0f
InChI InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11?,12-,13?,14?,15?,17+,18+,19+,20+,21+/m0/s1
InChIKey JHBBZIAPXDEPET-BGJBAJBNSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDn0kdmCTIR
Name 2-ALPHA,3-ALPHA,4-BETA-TRIHYDROXYPREGNAN-16-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11?,12-,13?,14?,15?,17+,18+,19+,20+,21+/m0/s1
InChIKey JHBBZIAPXDEPET-BGJBAJBNSA-N
Literature Reference Author M.T.PUPO,P.C.VIEIRA,J.B.FERNANDES,M.F.D.G.F.DASILVA,E.R.FO
Literature Reference Citation PHYTOCHEM.,45,1495(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00167-2
Molecular Weight 350.499 g/mol
Solvent C5D5N
Source File Reference UWSP307