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3.beta.,17.beta.-Diacetoxy-7.beta.-methylandrost-5-ene

View entire compound with spectra: 2 MS (GC)

3.beta.,17.beta.-Diacetoxy-7.beta.-methylandrost-5-ene
SpectraBase Compound ID HqGq0GItUG3
InChI InChI=1S/C24H36O4/c1-14-12-17-13-18(27-15(2)25)8-10-23(17,4)20-9-11-24(5)19(22(14)20)6-7-21(24)28-16(3)26/h12,14,18-22H,6-11,13H2,1-5H3/t14-,18-,19-,20-,21-,22-,23-,24-/m0/s1
InChIKey CIKNBLRHBSXCHY-IPYLSDAASA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lrs3eiNPlio
Name 3.beta.,17.beta.-Diacetoxy-7.beta.-methylandrost-5-ene
Alternate Name(s) 3.beta.,17.beta.-Diacetoxy-7.beta.-methyl-5-androstene (3beta,7beta,17beta)-17-(acetyloxy)-7-methylandrost-5-en-3-yl acetate acetic acid[(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester acetic acid[(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate acetic acid [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,7R,8R,9S,10R,13S,14S,17S)-17-acetyloxy-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-14-12-17-13-18(27-15(2)25)8-10-23(17,4)20-9-11-24(5)19(22(14)20)6-7-21(24)28-16(3)26/h12,14,18-22H,6-11,13H2,1-5H3/t14-,18-,19-,20-,21-,22-,23-,24-/m0/s1
InChIKey CIKNBLRHBSXCHY-IPYLSDAASA-N
Molecular Weight 388.548 g/mol
SMILES [C@]1(CC[C@]2(C(C1)=C[C@@]([C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)[H])[H])[H])(C)[H])C)(OC(=O)C)[H]
SPLASH splash10-004i-0009000000-5ddc5b28e49c5bcab50e
Source of Spectrum J-68-1606-11
Wiley ID 1536508