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N-Chloro-17-.beta.-acetoxy-4-aza-5-.alpha.-androst-1-en-3-one
SpectraBase Compound ID JnhEhlg1bbz
InChI InChI=1S/C20H28ClNO3/c1-12(23)25-17-7-5-14-13-4-6-16-19(2,11-9-18(24)22(16)21)15(13)8-10-20(14,17)3/h9,11,13-17H,4-8,10H2,1-3H3/t13-,14-,15-,16+,17-,19+,20-/m0/s1
InChIKey GTXQBCHPGWFYAP-MYTMCOJVSA-N
Mol Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Exact Mass 365.175771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 961rKqSPBSY
Name N-Chloro-17-.beta.-acetoxy-4-aza-5-.alpha.-androst-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28ClNO3
InChI InChI=1S/C20H28ClNO3/c1-12(23)25-17-7-5-14-13-4-6-16-19(2,11-9-18(24)22(16)21)15(13)8-10-20(14,17)3/h9,11,13-17H,4-8,10H2,1-3H3/t13-,14-,15-,16+,17-,19+,20-/m0/s1
InChIKey GTXQBCHPGWFYAP-MYTMCOJVSA-N
Molecular Weight 365.901 g/mol
SMILES [C@@]12([C@](N(Cl)C(C=C2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)C)[H])[H])[H])[H])C
SPLASH splash10-03ec-6519000000-e410122e061080671400
Source of Spectrum I-69-1484-2
Synonyms (4aR,4bS,6aS,7S,9aS,9bR,11aR)-1-chloro-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl acetate
Wiley ID 1351397