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IJMZUTORVRUEQA-RQTMNGPMSA-N

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IJMZUTORVRUEQA-RQTMNGPMSA-N
SpectraBase Compound ID FTuaEGpU1LX
InChI InChI=1S/C30H29NO12/c1-15(32)39-14-23-25(40-16(2)33)26(41-17(3)34)27(42-18(4)35)30(43-23)38-13-7-8-19-11-12-22-24-20(19)9-6-10-21(24)28(36)31(5)29(22)37/h6,9-12,23,25-27,30H,13-14H2,1-5H3/t23-,25-,26+,27-,30-/m0/s1
InChIKey IJMZUTORVRUEQA-RQTMNGPMSA-N
Mol Weight 595.56 g/mol
Molecular Formula C30H29NO12
Exact Mass 595.168975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXAhOqSwKBk
Name IJMZUTORVRUEQA-RQTMNGPMSA-N
CAS Registry Number 850402-71-0
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H29NO12
InChI InChI=1S/C30H29NO12/c1-15(32)39-14-23-25(40-16(2)33)26(41-17(3)34)27(42-18(4)35)30(43-23)38-13-7-8-19-11-12-22-24-20(19)9-6-10-21(24)28(36)31(5)29(22)37/h6,9-12,23,25-27,30H,13-14H2,1-5H3/t23-,25-,26+,27-,30-/m0/s1
InChIKey IJMZUTORVRUEQA-RQTMNGPMSA-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 595.560 g/mol
Solvent CDCl3
Source File Reference UWVN7695