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XMHQWJWJPAPNCA-UHPMKFJGSA-N
SpectraBase Compound ID GYmfN981ha7
InChI InChI=1S/C28H29NO12/c1-14(30)37-13-21-23(38-15(2)31)24(39-16(3)32)25(40-17(4)33)28(41-21)36-12-11-29-26(34)19-9-5-7-18-8-6-10-20(22(18)19)27(29)35/h5-10,21,23-25,28H,11-13H2,1-4H3/t21-,23-,24+,25-,28-/m1/s1
InChIKey XMHQWJWJPAPNCA-UHPMKFJGSA-N
Mol Weight 571.54 g/mol
Molecular Formula C28H29NO12
Exact Mass 571.168975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWTmJCj7lGA
Name XMHQWJWJPAPNCA-UHPMKFJGSA-N
CAS Registry Number 850402-68-5
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29NO12
InChI InChI=1S/C28H29NO12/c1-14(30)37-13-21-23(38-15(2)31)24(39-16(3)32)25(40-17(4)33)28(41-21)36-12-11-29-26(34)19-9-5-7-18-8-6-10-20(22(18)19)27(29)35/h5-10,21,23-25,28H,11-13H2,1-4H3/t21-,23-,24+,25-,28-/m1/s1
InChIKey XMHQWJWJPAPNCA-UHPMKFJGSA-N
Literature Reference Author G.CAVIGIOLIO,J.L.MORGAN,B.H.ROBINSON,J.SIMPSON
Literature Reference Citation AUSTR.J.CHEM.,57,885(2004)
Literature Reference DOI 10.1071/CH04020
Molecular Weight 571.538 g/mol
Solvent CDCl3
Source File Reference UWVN7692