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Pregna-1,4,20-trien-3-one

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Pregna-1,4,20-trien-3-one
SpectraBase Compound ID KCrlZrX9D9M
InChI InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKey KFTYFBOHSUEIEJ-NWSAAYAGSA-N
Mol Weight 296.45 g/mol
Molecular Formula C21H28O
Exact Mass 296.214016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKQxhDeOigH
Name PREGNA-1,4,20-TRIEN-3-ONE;(8S,9S,10R,13R,14S,17R)-10,13-DIMETHYL-17-VINYL-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA-[A]-PHENANTHREN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O
InChI InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKey KFTYFBOHSUEIEJ-NWSAAYAGSA-N
Literature Reference Author M.B.TABOT,G.SCHNAKENBURG,H.GROSS
Literature Reference Citation ACTA.CRYST.,66,2040(2010)
Literature Reference DOI 10.1107/s1600536810027352
Molecular Weight 296.453 g/mol
Solvent CDCl3
Source File Reference UWBT16622