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5β-pregnane-3α,20β,21-triol
SpectraBase Compound ID LNIBHvnqvmw
InChI InChI=1S/C21H36O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-PPAWMHNQSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKu7anu48VT
Name 5β-pregnane-3α,20β,21-triol
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Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-PPAWMHNQSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 39959M
Solvent Polysol