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(4aS,6aR,11aS,11bS)-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-2,4,4a,5,6,6a,11,11a-octahydro-1H-benzo[a]fluoren-3-one

View entire compound with spectra: 1 NMR

(4aS,6aR,11aS,11bS)-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-2,4,4a,5,6,6a,11,11a-octahydro-1H-benzo[a]fluoren-3-one
SpectraBase Compound ID LCn6DVpbluw
InChI InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h7-8,15,17-18,22,24-26,28,30H,5-6,9-14H2,1-4H3/t15-,17-,18-,22-,24-,25+,26-,27-/m0/s1
InChIKey JMODFFYUZXUAMQ-QQAMSOAUSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lMUCq9FGb6
Name (4aS,6aR,11aS,11bS)-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-2,4,4a,5,6,6a,11,11a-octahydro-1H-benzo[a]fluoren-3-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h7-8,15,17-18,22,24-26,28,30H,5-6,9-14H2,1-4H3/t15-,17-,18-,22-,24-,25+,26-,27-/m0/s1
InChIKey JMODFFYUZXUAMQ-QQAMSOAUSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 409.612 g/mol
Source File Reference MHKO22129