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AMERICANIN;3''-O-CAFFEOYL-ARCTIIN

View entire compound with spectra: 1 NMR

AMERICANIN;3''-O-CAFFEOYL-ARCTIIN
SpectraBase Compound ID KMDbquzEibT
InChI InChI=1S/C36H40O14/c1-44-26-9-5-20(15-28(26)45-2)12-22-18-47-35(43)23(22)13-21-6-10-27(29(16-21)46-3)48-36-33(42)34(32(41)30(17-37)49-36)50-31(40)11-7-19-4-8-24(38)25(39)14-19/h4-11,14-16,22-23,30,32-34,36-39,41-42H,12-13,17-18H2,1-3H3/b11-7+/t22-,23+,30-,32-,33-,34+,36-/m1/s1
InChIKey OHQVJZXZOCBRIJ-LWUHOSIISA-N
Mol Weight 696.7 g/mol
Molecular Formula C36H40O14
Exact Mass 696.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJbfhPevqIK
Name AMERICANIN;3''-O-CAFFEOYL-ARCTIIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O14
InChI InChI=1S/C36H40O14/c1-44-26-9-5-20(15-28(26)45-2)12-22-18-47-35(43)23(22)13-21-6-10-27(29(16-21)46-3)48-36-33(42)34(32(41)30(17-37)49-36)50-31(40)11-7-19-4-8-24(38)25(39)14-19/h4-11,14-16,22-23,30,32-34,36-39,41-42H,12-13,17-18H2,1-3H3/b11-7+/t22-,23+,30-,32-,33-,34+,36-/m1/s1
InChIKey OHQVJZXZOCBRIJ-LWUHOSIISA-N
Literature Reference Author M.SHOEB,S.N.MACMANUS,Y.KUMARASAMY,M.JASPARS,L.NAHAR,P.K.THOO -LIN,H.NAZEMIYEH,S.D
Literature Reference Citation PHYTOCHEM.,67,2370(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.08.012
Molecular Weight 696.705 g/mol
Sample ID 67196
Solvent CD3OD