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(8R,9S,13S,14S)-13-methyl-3-(pyridin-3-yloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
SpectraBase Compound ID 9fElktre3OI
InChI InChI=1S/C23H25NO2/c1-23-11-10-19-18-7-5-16(26-17-3-2-12-24-14-17)13-15(18)4-6-20(19)21(23)8-9-22(23)25/h2-3,5,7,12-14,19-21H,4,6,8-11H2,1H3/t19-,20-,21+,23+/m1/s1
InChIKey OSRFSSAVLNGYPS-JFYQVNSESA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COjuaplrkSu
Name (8R,9S,13S,14S)-13-methyl-3-(pyridin-3-yloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
Alternate Name(s) (8R,9S,13S,14S)-13-methyl-3-(3-pyridinyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-13-methyl-3-pyridin-3-yloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-23-11-10-19-18-7-5-16(26-17-3-2-12-24-14-17)13-15(18)4-6-20(19)21(23)8-9-22(23)25/h2-3,5,7,12-14,19-21H,4,6,8-11H2,1H3/t19-,20-,21+,23+/m1/s1
InChIKey OSRFSSAVLNGYPS-JFYQVNSESA-N
Literature Reference DOI 10.1021/ol0700409
Molecular Weight 347.458 g/mol
SMILES c1c(cc2CC[C@@]3([C@](c2c1)([H])CC[C@@]1(C(CC[C@@]31[H])=O)C)[H])Oc1cnccc1
SPLASH splash10-0002-0019000000-fafa1cfff4c5b5c0afb7
Source of Spectrum A1-9-1089/SMSI4-Scheme2,compound2
Wiley ID 1757971