For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EK8jsjMsPGj
Name 6-O-(3',4',5'-TRIMETHOXYBENZOYL)-AJUGOL
Compound Number 6
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 H.NAKAGAWA,Y.TAKAISHI,Y.FUJIMOTO,C.DUQUE,C.GARZON,M.SATO,M.O KAMOTO,T.OSHIKAWA,S.
Literature Reference Citation J.NAT.PROD.,67,1919(2004)
Literature Reference DOI 10.1021/np040006s
Molecular Weight 542.537 g/mol
Solvent CD3OD
Source File Reference UWMZ6780