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ECHITIN
SpectraBase Compound ID IqHSbuckuG4
InChI InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m0/s1
InChIKey XDGSYLNVWAOCRH-CMAQPADGSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71DmX2AHk69
Name ECHITIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m0/s1
InChIKey XDGSYLNVWAOCRH-CMAQPADGSA-N
Literature Reference Author X.Y.CHAI,Y.L.SONG,Z.R.XU,H.M.SHI,C.C.BAI,D.BI,J.WEN,F.F.LI,P .F.TU
Literature Reference Citation J.NAT.PROD.,71,814(2008)
Literature Reference DOI 10.1021/np800014s
Molecular Weight 578.529 g/mol
Sample ID 28264
Solvent DMSO-D6