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3.alpha.-Chloro-5.alpha.-androstan-17-one

View entire compound with spectra: 1 NMR

3.alpha.-Chloro-5.alpha.-androstan-17-one
SpectraBase Compound ID 6ylud9wXLq
InChI InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChIKey JBTQLUUOBPYIPP-HLUDHZFRSA-N
Mol Weight 308.89 g/mol
Molecular Formula C19H29ClO
Exact Mass 308.190693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J49aV6ljl5I
Name 3.alpha.-Chloro-5.alpha.-androstan-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.190693253 u
Formula C19H29ClO
InChI InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChIKey JBTQLUUOBPYIPP-HLUDHZFRSA-N
Molecular Weight 308.893 g/mol
SMILES [C@]1(C[C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@@]2(CCC(=O)[C@]2(CC1)C)[H])[H])[H])C)[H])(Cl)[H]