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Cyproterone acetate
SpectraBase Compound ID FzD7DRGc03E
InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
InChIKey UWFYSQMTEOIJJG-FDTZYFLXSA-N
Mol Weight 416.95 g/mol
Molecular Formula C24H29ClO4
Exact Mass 416.175437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID It7Tw4aFRvp
Name Cyproterone-acetate
Alternate Name(s) (2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-10-chloro-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate
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Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
InChIKey UWFYSQMTEOIJJG-FDTZYFLXSA-N
Molecular Weight 416.945 g/mol
SMILES [C@]12(C(C(Cl)=C[C@@]3([C@@]2(CC[C@@]2([C@@](OC(=O)C)(C(=O)C)CC[C@@]32[H])C)[H])[H])=CC([C@]2([C@@]1(C2)[H])[H])=O)C
SPLASH splash10-03di-0029000000-4b8938c6b08d2e23f64a
Source of Spectrum JC-529-151-2
Wiley ID 1376413