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3-BETA-(META-NITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE

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3-BETA-(META-NITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
SpectraBase Compound ID 84AJZSdyaJv
InChI InChI=1S/C28H31NO6/c1-16(30)21-7-8-22-20-15-25(31)24-14-19(9-11-28(24,3)23(20)10-12-27(21,22)2)35-26(32)17-5-4-6-18(13-17)29(33)34/h4-7,13-14,19-20,22-23H,8-12,15H2,1-3H3/t19-,20-,22-,23-,27+,28+/m0/s1
InChIKey WHBXUNFMLGTUGG-BDVCAQFBSA-N
Mol Weight 477.56 g/mol
Molecular Formula C28H31NO6
Exact Mass 477.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLrt68zkjwj
Name 3-BETA-(META-NITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31NO6
InChI InChI=1S/C28H31NO6/c1-16(30)21-7-8-22-20-15-25(31)24-14-19(9-11-28(24,3)23(20)10-12-27(21,22)2)35-26(32)17-5-4-6-18(13-17)29(33)34/h4-7,13-14,19-20,22-23H,8-12,15H2,1-3H3/t19-,20-,22-,23-,27+,28+/m0/s1
InChIKey WHBXUNFMLGTUGG-BDVCAQFBSA-N
Literature Reference Author J.LI,H.LI,Y.LI
Literature Reference Citation CHEM.CENTR.J.,4,18,1(2010)
Molecular Weight 477.557 g/mol
Solvent CDCl3
Source File Reference UWIR11802