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

View entire compound with spectra: 1 MS (GC)

N-(Acetylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide
SpectraBase Compound ID 5qstcf6x1R2
InChI InChI=1S/C25H37NO4/c1-15(27)14-26-23(29)22-8-7-20-19-6-5-17-13-18(30-16(2)28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,18-22H,6-14H2,1-4H3,(H,26,29)/t18-,19-,20-,21-,22+,24-,25-/m0/s1
InChIKey NQSOBFHZQMEXPC-YLCICSEWSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 126vwXt1H88
Name N-(Acetylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-15(27)14-26-23(29)22-8-7-20-19-6-5-17-13-18(30-16(2)28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,18-22H,6-14H2,1-4H3,(H,26,29)/t18-,19-,20-,21-,22+,24-,25-/m0/s1
InChIKey NQSOBFHZQMEXPC-YLCICSEWSA-N
Molecular Weight 415.574 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)C
SPLASH splash10-0a4i-1029000000-b5255eea87f942189bba
Source of Spectrum SK-23-839-7
Synonyms (3beta,17beta)-17-{[(2-oxopropyl)amino]carbonyl}androst-5-en-3-yl acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[oxo-(2-oxopropylamino)methyl]-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-(acetonylcarbamoyl)-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)-10,13-dimethyl-17-(2-oxidanylidenepropylcarbamoyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-oxopropylcarbamoyl)-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-(acetonylcarbamoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[oxo-(2-oxopropylamino)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-(2-oxopropylcarbamoyl)-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-(acetonylcarbamoyl)-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)-10,13-dimethyl-17-(2-oxidanylidenepropylcarbamoyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 865581