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3-.beta.-(Acetoxy)androst-5-ene-17.beta.-thiocarboxamide

View entire compound with spectra: 1 MS (GC)

3-.beta.-(Acetoxy)androst-5-ene-17.beta.-thiocarboxamide
SpectraBase Compound ID CLrmVGjkk0j
InChI InChI=1S/C22H33NO2S/c1-13(24)25-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(23)26)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H2,23,26)/t15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKey WFUNXTSBGMKDFR-SPHVDITISA-N
Mol Weight 375.6 g/mol
Molecular Formula C22H33NO2S
Exact Mass 375.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpYl36acjRt
Name 3-.beta.-(Acetoxy)androst-5-ene-17.beta.-thiocarboxamide
Alternate Name(s) (3beta,17beta)-17-(aminocarbothioyl)androst-5-en-3-yl acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-thiocarbamoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate Acetic acid [(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13S,14S,17S)-17-carbamothioyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
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Formula C22H33NO2S
InChI InChI=1S/C22H33NO2S/c1-13(24)25-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(23)26)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H2,23,26)/t15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKey WFUNXTSBGMKDFR-SPHVDITISA-N
Molecular Weight 375.571 g/mol
SMILES NC([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)[H])=S
SPLASH splash10-0159-0097000000-9991fdf2eeac218f24df
Source of Spectrum SK-23-834-3
Wiley ID 865588