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DETOXIN-C3

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DETOXIN-C3
SpectraBase Compound ID 5KfxNM3Ede1
InChI InChI=1S/C27H39N3O8/c1-15(2)23(28)26(35)30-12-11-20(37-17(5)31)24(30)21(14-22(32)33)38-27(36)19(29-25(34)16(3)4)13-18-9-7-6-8-10-18/h6-10,15-16,19-21,23-24H,11-14,28H2,1-5H3,(H,29,34)(H,32,33)
InChIKey KFHKHVMZAQPSFT-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C27H39N3O8
Exact Mass 533.273715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85VfEOEVLRE
Name DETOXIN-C3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N3O8
InChI InChI=1S/C27H39N3O8/c1-15(2)23(28)26(35)30-12-11-20(37-17(5)31)24(30)21(14-22(32)33)38-27(36)19(29-25(34)16(3)4)13-18-9-7-6-8-10-18/h6-10,15-16,19-21,23-24H,11-14,28H2,1-5H3,(H,29,34)(H,32,33)
InChIKey KFHKHVMZAQPSFT-UHFFFAOYSA-N
Literature Reference Author T.OGITA,H.SETO,N.OTAKE,H.YONEHARA
Literature Reference Citation AGR.BIOL.CHEM.,45,2605(1981)
Literature Reference DOI 10.1271/bbb1961.45.2605
Molecular Weight 533.622 g/mol
Solvent CD3OD
Source File Reference UWBT8430