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(20S)-N-Nitro-18,20-epimino-5a-pregnane-3b,18-di ol 3-acetate

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(20S)-N-Nitro-18,20-epimino-5a-pregnane-3b,18-di ol 3-acetate
SpectraBase Compound ID zExHLJYFNH
InChI InChI=1S/C23H36N2O5/c1-13-18-6-7-20-17-5-4-15-12-16(30-14(2)26)8-10-22(15,3)19(17)9-11-23(18,20)21(27)24(13)25(28)29/h13,15-21,27H,4-12H2,1-3H3
InChIKey CVARLXNQXPNWFB-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H36N2O5
Exact Mass 420.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ui9W4897h1
Name (20S)-N-Nitro-18,20-epimino-5a-pregnane-3b,18-di ol 3-acetate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H36N2O5
InChI InChI=1S/C23H36N2O5/c1-13-18-6-7-20-17-5-4-15-12-16(30-14(2)26)8-10-22(15,3)19(17)9-11-23(18,20)21(27)24(13)25(28)29/h13,15-21,27H,4-12H2,1-3H3
InChIKey CVARLXNQXPNWFB-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference P. De Armas, C.G. Francisco, E. Suarez, J. Chem. Soc. Perkin I 3255 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3