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17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - O-[3'-(methoxycarbonyl)propyl]oxime

View entire compound with spectra: 1 MS (GC)

17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - O-[3'-(methoxycarbonyl)propyl]oxime
SpectraBase Compound ID 4hTs6SlUxaw
InChI InChI=1S/C26H39NO6/c1-16(28)33-18-9-11-25(2)17(14-18)15-21(27-32-13-5-6-23(30)31-4)24-19-7-8-22(29)26(19,3)12-10-20(24)25/h15,18-20,22,24,29H,5-14H2,1-4H3/b27-21-/t18-,19?,20?,22-,24?,25-,26-/m0/s1
InChIKey XGFCJDWOWKGBEV-CBNGXLBMSA-N
Mol Weight 461.6 g/mol
Molecular Formula C26H39NO6
Exact Mass 461.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j42iZ5n3Fd
Name 17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate - O-[3'-(methoxycarbonyl)propyl]oxime
Alternate Name(s) 17.beta.-Hydroxy-7-oxoandrost-5-en-3.beta.-yl acetate -7{O-[3'-(methoxycarbonyl)propyl]}oxime Methyl 4-{[((E)-1-{[(3beta,17beta)-17-hydroxy-7-oxoandrost-5-en-3-yl]oxy}ethylidene)amino]oxy}butanoate 4-[(E)-[(3S,10R,13S,17S)-3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxybutanoic acid methyl ester Methyl 4-[(E)-[(3S,10R,13S,17S)-3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxybutanoate Methyl 4-[(E)-[(3S,10R,13S,17S)-3-acetoxy-17-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxybutanoate Methyl 4-[(E)-[(3S,10R,13S,17S)-3-acetyloxy-10,13-dimethyl-17-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxybutanoate
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Formula C26H39NO6
InChI InChI=1S/C26H39NO6/c1-16(28)33-18-9-11-25(2)17(14-18)15-21(27-32-13-5-6-23(30)31-4)24-19-7-8-22(29)26(19,3)12-10-20(24)25/h15,18-20,22,24,29H,5-14H2,1-4H3/b27-21-/t18-,19?,20?,22-,24?,25-,26-/m0/s1
InChIKey XGFCJDWOWKGBEV-CBNGXLBMSA-N
Molecular Weight 461.599 g/mol
SMILES O[C@@]1([C@]2(CCC3[C@@]4(C(=C\C(C3C2CC1)=N\OCCCC(=O)OC)C[C@@](OC(=O)C)(CC4)[H])C)C)[H]
SPLASH splash10-0udi-0921800000-a5abce7505718813193a
Source of Spectrum G-62-464-10
Wiley ID 749272