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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 5WHf8u278ur
Name PREGNA-1,4,20-TRIEN-3-ONE
Compound Number 3
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 A.R.DIAZ-MARRERO,G.PORRAS,Z.ARAGON,J.M.DELAROSA,E.DORTA,M.CU ETO,L.DCROZ,J.MATE,J
Literature Reference Citation J.NAT.PROD.,74,292(2011)
Literature Reference DOI 10.1021/np1007608
Molecular Weight 296.453 g/mol
Sample ID 37570
Solvent CDCl3