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(20S)-N-Nitro-18,20-epimino-5a-pregnan-3b-yl acetate
SpectraBase Compound ID DE2lAAxYADK
InChI InChI=1S/C23H36N2O4/c1-14-19-6-7-21-18-5-4-16-12-17(29-15(2)26)8-10-22(16,3)20(18)9-11-23(19,21)13-24(14)25(27)28/h14,16-21H,4-13H2,1-3H3/t14?,16-,17-,18+,19+,20-,21-,22-,23-/m0/s1
InChIKey DQZQSXFQEOIJLS-JNBKWNHZSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 240EdXFWnve
Name (20S)-N-NITRO-18,20-EPIMINO-5-ALPHA-PREGNAN-3-BETA-YL-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-14-19-6-7-21-18-5-4-16-12-17(29-15(2)26)8-10-22(16,3)20(18)9-11-23(19,21)13-24(14)25(27)28/h14,16-21H,4-13H2,1-3H3/t14?,16-,17-,18+,19+,20-,21-,22-,23-/m0/s1
InChIKey DQZQSXFQEOIJLS-JNBKWNHZSA-N
Literature Reference Author P.DEARMAS,C.G.FRANCISCO,R.HERNANDEZ,J.A.SALAZAR,E.SUAREZ
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3255(1988)
Literature Reference DOI 10.1039/p19880003255
Molecular Weight 404.550 g/mol
Solvent CDCl3
Source File Reference UWBK1305