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2.alpha.,3.alpha.,4.beta.-Trihydroxypregnan-16-one
SpectraBase Compound ID 8DPWtuDnYum
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-/m1/s1
InChIKey JHBBZIAPXDEPET-XSXSTQRRSA-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 3qYsiWM73c6
Name 2-ALPHA,3-ALPHA,4-BETA-TRIHYDROXYPREGNAN-16-ONE
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-/m1/s1
InChIKey JHBBZIAPXDEPET-XSXSTQRRSA-N
Literature Reference Author P.KETWARU,J.KLASS,W.F.TINTO,S.MCLEAN,W.F.REYNOLDS
Literature Reference Citation J.NAT.PROD.,56,430(1993)
Literature Reference DOI 10.1021/np50093a018
Molecular Weight 350.499 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS3657