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17-.beta.-Methyl-20-oxo-18-nor-17-.alpha.-pregna-5,13-diene-3-.beta.,16-.alpha.,21-diyl 3-acetate 16-formate
SpectraBase Compound ID yqTbXpaQvT
InChI InChI=1S/C24H32O5/c1-14(26)24(4)21-8-7-20-18(19(21)12-22(24)28-13-25)6-5-16-11-17(29-15(2)27)9-10-23(16,20)3/h5,13,17-18,20,22H,6-12H2,1-4H3/t17-,18-,20-,22+,23-,24-/m0/s1
InChIKey WPOSVVXURQLUFZ-LUEYPLBRSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3B4iMULujdz
Name 17-.beta.-Methyl-20-oxo-18-nor-17-.alpha.-pregna-5,13-diene-3-.beta.,16-.alpha.,21-diyl 3-acetate 16-formate
Alternate Name(s) Acetic acid (3S,8R,9S,10R,16R,17S)-17-acetyl-16-formyloxy-10,17-dimethyl-2,3,4,7,8,9,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-14(26)24(4)21-8-7-20-18(19(21)12-22(24)28-13-25)6-5-16-11-17(29-15(2)27)9-10-23(16,20)3/h5,13,17-18,20,22H,6-12H2,1-4H3/t17-,18-,20-,22+,23-,24-/m0/s1
InChIKey WPOSVVXURQLUFZ-LUEYPLBRSA-N
Molecular Weight 400.515 g/mol
SMILES C12=C([C@]3([C@]([C@@]4(C(C[C@@](OC(=O)C)(CC4)[H])=CC3)C)([H])CC1)[H])C[C@]([C@]2(C(=O)C)C)(OC=O)[H]
SPLASH splash10-0udu-0669200000-374426558f0111f0ab49
Source of Spectrum F-65-6178-11
Wiley ID 1680134