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3-.beta.-(Acetoxy)-17-.beta.-(4'-methyl-2'-thiazolyl)androst-5-ene

View entire compound with spectra: 1 MS (GC)

3-.beta.-(Acetoxy)-17-.beta.-(4'-methyl-2'-thiazolyl)androst-5-ene
SpectraBase Compound ID LOFQfvHBY5y
InChI InChI=1S/C25H35NO2S/c1-15-14-29-23(26-15)22-8-7-20-19-6-5-17-13-18(28-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,24-,25-/m0/s1
InChIKey XSBSSRYHENJDMO-YLCICSEWSA-N
Mol Weight 413.6 g/mol
Molecular Formula C25H35NO2S
Exact Mass 413.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSkAwDl4ORD
Name 3-.beta.-(Acetoxy)-17-.beta.-(4'-methyl-2'-thiazolyl)androst-5-ene
Alternate Name(s) (3beta,17beta)-17-(4-methyl-1,3-thiazol-2-yl)androst-5-en-3-yl acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(4-methyl-2-thiazolyl)-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-(4-methylthiazol-2-yl)-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-(4-methyl-1,3-thiazol-2-yl)-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-(4-methyl-1,3-thiazol-2-yl)-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-(4-methylthiazol-2-yl)-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-(4-methyl-2-thiazolyl)-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-(4-methyl-1,3-thiazol-2-yl)-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-(4-methylthiazol-2-yl)-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-(4-methyl-1,3-thiazol-2-yl)-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 C25H35NO2S
InChI InChI=1S/C25H35NO2S/c1-15-14-29-23(26-15)22-8-7-20-19-6-5-17-13-18(28-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,24-,25-/m0/s1
InChIKey XSBSSRYHENJDMO-YLCICSEWSA-N
Molecular Weight 413.620 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(c1nc(C)cs1)[H])[H])C
SPLASH splash10-0h09-0809000000-1e66b6eea9c777e00134
Source of Spectrum SK-23-835-5
Wiley ID 865586