3,5-DI-O-CAFFEOLY-4-O-[(1-HYDROXY-4-OXOCYCLOHEXA-2,5-DIENYL)-ACETYL]-QUINIC_ACID

SpectraBase Compound ID	8V351MW5oxZ
InChI	InChI=1S/C33H30O15/c34-20-9-11-32(44,12-10-20)17-29(41)48-30-25(46-27(39)7-3-18-1-5-21(35)23(37)13-18)15-33(45,31(42)43)16-26(30)47-28(40)8-4-19-2-6-22(36)24(38)14-19/h1-14,25-26,30,35-38,44-45H,15-17H2,(H,42,43)/b7-3+,8-4+/t25-,26-,30-,33+/m0/s1
InChIKey	DZRRTODRIPCTQN-OZYCOJQVSA-N Google Search
Mol Weight	666.6 g/mol
Molecular Formula	C33H30O15
Exact Mass	666.15847 g/mol

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SpectraBase Spectrum ID	Awh9VpIceGZ
Name	3,5-DI-O-CAFFEOLY-4-O-[(1-HYDROXY-4-OXOCYCLOHEXA-2,5-DIENYL)-ACETYL]-QUINIC_ACID
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C33H30O15
InChI	InChI=1S/C33H30O15/c34-20-9-11-32(44,12-10-20)17-29(41)48-30-25(46-27(39)7-3-18-1-5-21(35)23(37)13-18)15-33(45,31(42)43)16-26(30)47-28(40)8-4-19-2-6-22(36)24(38)14-19/h1-14,25-26,30,35-38,44-45H,15-17H2,(H,42,43)/b7-3+,8-4+/t25-,26-,30-,33+/m0/s1
InChIKey	DZRRTODRIPCTQN-OZYCOJQVSA-N
Literature Reference Author	K.SPROGOE,D.STAERK,A.K.JAEGER,A.ADSERSEN,S.H.HANSEN,M.WITT,A .K.R.LANDBO,A.S.MEYE
Literature Reference Citation	J.NAT.PROD.,70,1472(2007)
Literature Reference DOI	10.1021/np0702741
Molecular Weight	666.592 g/mol
Sample ID	31545
Solvent	CD3OD