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KADCOTRIONE_B

View entire compound with spectra: 1 NMR

KADCOTRIONE_B
SpectraBase Compound ID EHnokuYaezn
InChI InChI=1S/C28H40O5/c1-17(8-7-9-18(2)25(32)33)21(29)12-14-28(6)19-10-11-22-26(3,4)23(30)13-15-27(22,5)20(19)16-24(28)31/h9,16-17,19,22H,7-8,10-15H2,1-6H3,(H,32,33)/b18-9-/t17-,19-,22+,27-,28+/m1/s1
InChIKey ZPEYCRDVLYEXNI-OSNCFQLISA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APHBOhIJBCO
Name KADCOTRIONE_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-17(8-7-9-18(2)25(32)33)21(29)12-14-28(6)19-10-11-22-26(3,4)23(30)13-15-27(22,5)20(19)16-24(28)31/h9,16-17,19,22H,7-8,10-15H2,1-6H3,(H,32,33)/b18-9-/t17-,19-,22+,27-,28+/m1/s1
InChIKey ZPEYCRDVLYEXNI-OSNCFQLISA-N
Literature Reference Author C.Q.LIANG,Y.M.SHI,X.Y.LI,R.H.LUO,Y.LI,Y.T.ZHENG,H.B.ZHANG,W. L.XIAO,H.D.SUN
Literature Reference Citation J.NAT.PROD.,76,2350(2013)
Literature Reference DOI 10.1021/np400546z
Molecular Weight 456.623 g/mol
Solvent C5D5N
Source File Reference UWMZ43639