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N-(Benzoylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide

View entire compound with spectra: 1 MS (GC)

N-(Benzoylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide
SpectraBase Compound ID 6ELrgB1xcjL
InChI InChI=1S/C30H39NO4/c1-19(32)35-22-13-15-29(2)21(17-22)9-10-23-24-11-12-26(30(24,3)16-14-25(23)29)28(34)31-18-27(33)20-7-5-4-6-8-20/h4-9,22-26H,10-18H2,1-3H3,(H,31,34)/t22-,23-,24-,25-,26+,29-,30-/m0/s1
InChIKey DTMIFIULQMJTBU-MAGPSZRDSA-N
Mol Weight 477.6 g/mol
Molecular Formula C30H39NO4
Exact Mass 477.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Fgv8KTCKNy
Name N-(Benzoylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide
Alternate Name(s) (3beta,17beta)-17-{[(2-oxo-2-phenylethyl)amino]carbonyl}androst-5-en-3-yl acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(phenacylcarbamoyl)-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)-10,13-dimethyl-17-[oxo-(phenacylamino)methyl]-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)-10,13-dimethyl-17-(phenacylcarbamoyl)-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)-10,13-dimethyl-17-(phenacylcarbamoyl)-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)-10,13-dimethyl-17-[oxo-(phenacylamino)methyl]-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)-10,13-dimethyl-17-(phenacylcarbamoyl)-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)-10,13-dimethyl-17-(phenacylcarbamoyl)-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 C30H39NO4
InChI InChI=1S/C30H39NO4/c1-19(32)35-22-13-15-29(2)21(17-22)9-10-23-24-11-12-26(30(24,3)16-14-25(23)29)28(34)31-18-27(33)20-7-5-4-6-8-20/h4-9,22-26H,10-18H2,1-3H3,(H,31,34)/t22-,23-,24-,25-,26+,29-,30-/m0/s1
InChIKey DTMIFIULQMJTBU-MAGPSZRDSA-N
Molecular Weight 477.645 g/mol
SMILES N(C([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])=O)CC(=O)c1ccccc1
SPLASH splash10-014i-0010900000-2dd76c5b737ac4fbe633
Source of Spectrum SK-23-839-7
Wiley ID 865582