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Acetic acid, 2,4-dibromo-7,8,9,11,12,13,14,15,16,17-decahydro-13-methyl-17-oxo-6H-cyclopenta[a]phenanthren-3-yl ester
SpectraBase Compound ID 90YKFKyN0l7
InChI InChI=1S/C20H22Br2O3/c1-10(23)25-19-16(21)9-14-11-7-8-20(2)15(5-6-17(20)24)12(11)3-4-13(14)18(19)22/h9,11-12,15H,3-8H2,1-2H3/t11-,12?,15-,20-/m0/s1
InChIKey YFXBZZWBPIJJDQ-RDFPQIHPSA-N
Mol Weight 470.2 g/mol
Molecular Formula C20H22Br2O3
Exact Mass 467.993571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ5njFsEBGY
Name Acetic acid, 2,4-dibromo-7,8,9,11,12,13,14,15,16,17-decahydro-13-methyl-17-oxo-6H-cyclopenta[a]phenanthren-3-yl ester
Alternate Name(s) Acetic acid [(9S,13S,14S)-2,4-dibromo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(9S,13S,14S)-2,4-dibromo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(9S,13S,14S)-2,4-bis(bromanyl)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate
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Formula C20H22Br2O3
InChI InChI=1S/C20H22Br2O3/c1-10(23)25-19-16(21)9-14-11-7-8-20(2)15(5-6-17(20)24)12(11)3-4-13(14)18(19)22/h9,11-12,15H,3-8H2,1-2H3/t11-,12?,15-,20-/m0/s1
InChIKey YFXBZZWBPIJJDQ-RDFPQIHPSA-N
Molecular Weight 470.201 g/mol
SMILES c12c(c(Br)c(c(c2)Br)OC(=O)C)CCC2[C@]3([C@](C(=O)CC3)(C)CC[C@]12[H])[H]
SPLASH splash10-0006-9422200000-ed05199263cf2dfeebad
Source of Spectrum IY-1-4629-6
Wiley ID 1654279