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KADCOTRIONE_A
SpectraBase Compound ID 2VUnAPP8qFz
InChI InChI=1S/C30H44O6/c1-18(9-8-10-19(2)26(34)35)21(31)13-15-28(6)23-12-11-22-27(4,5)24(32)14-16-29(22,7)30(23,36)17-20(3)25(28)33/h10,17-18,22-23,36H,8-9,11-16H2,1-7H3,(H,34,35)/b19-10-/t18-,22+,23+,28-,29+,30+/m1/s1
InChIKey FXJGLOXSVVHTHY-GIYBKUJTSA-N
Mol Weight 500.7 g/mol
Molecular Formula C30H44O6
Exact Mass 500.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxuTtNhO5fi
Name KADCOTRIONE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O6
InChI InChI=1S/C30H44O6/c1-18(9-8-10-19(2)26(34)35)21(31)13-15-28(6)23-12-11-22-27(4,5)24(32)14-16-29(22,7)30(23,36)17-20(3)25(28)33/h10,17-18,22-23,36H,8-9,11-16H2,1-7H3,(H,34,35)/b19-10-/t18-,22+,23+,28-,29+,30+/m1/s1
InChIKey FXJGLOXSVVHTHY-GIYBKUJTSA-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 500.676 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43637