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

View entire compound with spectra: 1 MS (GC)

3-.beta.-(Acetoxy)-17-.beta.-(5'-methoxy-2'-thiazolyl)androst-5-ene
SpectraBase Compound ID G7GEeKhnxAC
InChI InChI=1S/C25H35NO3S/c1-15(27)29-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23-26-14-22(28-4)30-23)25(19,3)12-10-20(18)24/h5,14,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,24-,25-/m0/s1
InChIKey NMFMBSIXLUKQJB-ROKGUJHPSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO3S
Exact Mass 429.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qYbHFd3o
Name 3-.beta.-(Acetoxy)-17-.beta.-(5'-methoxy-2'-thiazolyl)androst-5-ene
Alternate Name(s) (3beta,17beta)-17-(5-methoxy-1,3-thiazol-2-yl)androst-5-en-3-yl acetate Acetic acid[(3S,8S,9S,10R,13S,14S,17S)-17-(5-methoxy-2-thiazolyl)-10,13-dimethyl-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-(5-methoxythiazol-2-yl)-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-(5-methoxy-1,3-thiazol-2-yl)-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-(5-methoxy-1,3-thiazol-2-yl)-10,13-dimethyl-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)-17-(5-methoxythiazol-2-yl)-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)-17-(5-methoxy-2-thiazolyl)-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-(5-methoxy-1,3-thiazol-2-yl)-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-(5-methoxythiazol-2-yl)-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-(5-methoxy-1,3-thiazol-2-yl)-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 C25H35NO3S
InChI InChI=1S/C25H35NO3S/c1-15(27)29-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23-26-14-22(28-4)30-23)25(19,3)12-10-20(18)24/h5,14,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,24-,25-/m0/s1
InChIKey NMFMBSIXLUKQJB-ROKGUJHPSA-N
Molecular Weight 429.619 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(c1sc(OC)cn1)[H])[H])C
SPLASH splash10-0v03-0809100000-328a4263b37adbc37d48
Source of Spectrum SK-23-843-9
Wiley ID 865575