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(-)-13-epi-Aza-17-desoxo-12-oxoestrone Methyl Ether
SpectraBase Compound ID 3XRL4aeQiKP
InChI InChI=1S/C18H23NO2/c1-18-8-3-4-16(18)19-9-7-12-10-13(21-2)5-6-14(12)15(19)11-17(18)20/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3/t15-,16-,18+/m0/s1
InChIKey DOAOMEZYEHLMIF-XYJFISCASA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58P4ngaKO0
Name (-)-13-epi-Aza-17-desoxo-12-oxoestrone Methyl Ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-18-8-3-4-16(18)19-9-7-12-10-13(21-2)5-6-14(12)15(19)11-17(18)20/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3/t15-,16-,18+/m0/s1
InChIKey DOAOMEZYEHLMIF-XYJFISCASA-N
Molecular Weight 285.387 g/mol
SMILES [C@]12(N([C@@]3([C@](C(C2)=O)(CCC3)C)[H])CCc2cc(ccc12)OC)[H]
SPLASH splash10-03ei-0490000000-a8cc5f4fb31092f2047b
Source of Spectrum J-57-4738-3
Synonyms (3aS,10bS,12aR)-8-Methoxy-12a-methyl-2,3,3a,5,6,10b,11,12a-octahydro-1H-cyclopenta[5,6]pyrido[2,1-a]isoquinolin-12-one
Wiley ID 1289145