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6-O-(3,4,5-TRIMETHOXYBENZOYL)-AJUGOL
SpectraBase Compound ID L25YpKNzTlD
InChI InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15+,16-,17+,18-,19+,20-,23-,24+,25-/m0/s1
InChIKey ISDOCUIPMQVNLK-QNXBWBDGSA-N
Mol Weight 542.5 g/mol
Molecular Formula C25H34O13
Exact Mass 542.199941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GDy2CpMnEA
Name 6-O-(3'',4'',5''-TRIMETHOXYBENZOYL)-AJUGOL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O13
InChI InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15+,16-,17+,18-,19+,20-,23-,24+,25-/m0/s1
InChIKey ISDOCUIPMQVNLK-QNXBWBDGSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 542.537 g/mol
Sample ID 37812
Solvent CD3OD