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3-BETA-(3,5-DINITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE

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3-BETA-(3,5-DINITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
SpectraBase Compound ID 8T00189L9co
InChI InChI=1S/C28H30N2O8/c1-15(31)21-4-5-22-20-14-25(32)24-13-19(6-8-28(24,3)23(20)7-9-27(21,22)2)38-26(33)16-10-17(29(34)35)12-18(11-16)30(36)37/h4,10-13,19-20,22-23H,5-9,14H2,1-3H3/t19-,20-,22-,23-,27+,28+/m0/s1
InChIKey DRCNLMQZLISEGC-BDVCAQFBSA-N
Mol Weight 522.55 g/mol
Molecular Formula C28H30N2O8
Exact Mass 522.200216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ir96DnxDCUy
Name 3-BETA-(3,5-DINITROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE
Compound Number 10H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O8
InChI InChI=1S/C28H30N2O8/c1-15(31)21-4-5-22-20-14-25(32)24-13-19(6-8-28(24,3)23(20)7-9-27(21,22)2)38-26(33)16-10-17(29(34)35)12-18(11-16)30(36)37/h4,10-13,19-20,22-23H,5-9,14H2,1-3H3/t19-,20-,22-,23-,27+,28+/m0/s1
InChIKey DRCNLMQZLISEGC-BDVCAQFBSA-N
Literature Reference Author J.LI,H.LI,Y.LI
Literature Reference Citation CHEM.CENTR.J.,4,18,1(2010)
Molecular Weight 522.555 g/mol
Solvent CDCl3
Source File Reference UWIR11803