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Melengestrol acetate
SpectraBase Compound ID F2tQhW2rwYf
InChI InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
InChIKey UDKABVSQKJNZBH-DWNQPYOZSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jnzl8xDi0Gk
Name (8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylene-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
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Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
InChIKey UDKABVSQKJNZBH-DWNQPYOZSA-N
Literature Reference DOI 10.1016/j.steroids.2014.04.012
Molecular Weight 396.527 g/mol
SMILES [C@]12(C(C(=C[C@@]3([C@@]2(CC[C@]2([C@]3(CC([C@@]2(C(=O)C)OC(C)=O)=C)[H])C)[H])[H])C)=CC(CC1)=O)C
SPLASH splash10-000f-2975000000-59859dd6012680cb3bc5
Source of Spectrum Elias Baydoun, et al. Steroids, 10.1016/j.steroids.2014.04.012
Wiley ID 1816445