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KADCOTRIONE_C

View entire compound with spectra: 1 NMR

KADCOTRIONE_C
SpectraBase Compound ID 6FhxMoX4Mua
InChI InChI=1S/C30H44O5/c1-18(9-8-10-19(2)27(34)35)21(20(3)31)13-15-30(7)22-11-12-24-28(4,5)25(32)14-16-29(24,6)23(22)17-26(30)33/h10,17-18,21-22,24H,8-9,11-16H2,1-7H3,(H,34,35)/b19-10-/t18?,21-,22-,24+,29-,30+/m1/s1
InChIKey JELSBSFWZHKWLL-SAAVCWFHSA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H44O5
Exact Mass 484.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5nXyQPd9MR
Name KADCOTRIONE_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O5
InChI InChI=1S/C30H44O5/c1-18(9-8-10-19(2)27(34)35)21(20(3)31)13-15-30(7)22-11-12-24-28(4,5)25(32)14-16-29(24,6)23(22)17-26(30)33/h10,17-18,21-22,24H,8-9,11-16H2,1-7H3,(H,34,35)/b19-10-/t18?,21-,22-,24+,29-,30+/m1/s1
InChIKey JELSBSFWZHKWLL-SAAVCWFHSA-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 484.676 g/mol
Solvent C5D5N
Source File Reference UWMZ43640