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6-O-VANILLOYLAJUGOL
SpectraBase Compound ID I0yDtzRIyNc
InChI InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15-,16+,17-,18+,19-,21-,22+,23-/m0/s1
InChIKey PJAISAAYEQAVGA-KAZKDXLESA-N
Mol Weight 498.48 g/mol
Molecular Formula C23H30O12
Exact Mass 498.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMUJK2AB73A
Name 6-O-4''-HYDROXY-3''-METHOXY-BENZOYL-AJUGOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30O12
InChI InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15-,16+,17-,18+,19-,21-,22+,23-/m0/s1
InChIKey PJAISAAYEQAVGA-KAZKDXLESA-N
Literature Reference Author T.IWAGAWA,H.ASAI,T.HASE,S.SAKO,R.SU,N.HAGIWARA,M.KIM
Literature Reference Citation PHYTOCHEM.,29,1913(1990)
Literature Reference DOI 10.1016/0031-9422(90)85039-I
Molecular Weight 498.484 g/mol
Solvent CD3OD
Source File Reference UWLU32170