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CENTRATHERIN
SpectraBase Compound ID Fadr5M0wgHK
InChI InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15+,17+,20-/m1/s1
InChIKey BMVJFNLJSZHNNS-YUDFMKBLSA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49davCgb1Pq
Name CENTRATHERIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15+,17+,20-/m1/s1
InChIKey BMVJFNLJSZHNNS-YUDFMKBLSA-N
Literature Reference Author A.C.F.SOARES,A.N.SILVA,P.M.MATOS,E.H.D.SILVA,V.C.G.HELENO,N. P.LOPES,J.L.C.LOPES
Literature Reference Citation QUIM.NOVA,35,2205(2012)
Literature Reference DOI 10.1590/s0100-40422012001100020
Molecular Weight 374.390 g/mol
Solvent CDCl3
Source File Reference UWIR12583