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4-CHLORO-17-ALPHA-METHYL-ANDROSTA-1,4-DIENE-3,17-BETA-DIOL;HALODROL
SpectraBase Compound ID 2BFdJqWgGRM
InChI InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,16,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,16+,18-,19+,20+/m1/s1
InChIKey ZHWBNJVZZYSUJZ-HADYEQCDSA-N
Mol Weight 336.9 g/mol
Molecular Formula C20H29ClO2
Exact Mass 336.185608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc3oWYPQopo
Name 4-CHLORO-17-ALPHA-METHYL-ANDROSTA-1,4-DIENE-3,17-BETA-DIOL;HALODROL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29ClO2
InChI InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,16,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,16+,18-,19+,20+/m1/s1
InChIKey ZHWBNJVZZYSUJZ-HADYEQCDSA-N
Literature Reference Author A.CLARKE,J.SCARTH,P.TEALE,C.PEARCE,L.HILLYER
Literature Reference Citation DRUG.TEST.ANAL.,3,74(2011)
Literature Reference DOI 10.1002/dta.250
Molecular Weight 336.902 g/mol
Sample ID 72220
Solvent CD3OD