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BETA-D-(3',4'-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-[BETA-D-XYLOPYRANOSYL-(1->6)]-(4-O-CAFFEOYL)-(2-O-ACETYL)-GLUCOPYRANOSIDE;PHELIPOS

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BETA-D-(3',4'-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-[BETA-D-XYLOPYRANOSYL-(1->6)]-(4-O-CAFFEOYL)-(2-O-ACETYL)-GLUCOPYRANOSIDE;PHELIPOS
SpectraBase Compound ID IegMnx280yZ
InChI InChI=1S/C36H46O20/c1-15-26(44)28(46)30(48)35(52-15)56-32-31(55-25(43)8-5-17-3-6-19(38)21(40)11-17)24(14-51-34-29(47)27(45)23(42)13-50-34)54-36(33(32)53-16(2)37)49-10-9-18-4-7-20(39)22(41)12-18/h3-8,11-12,15,23-24,26-36,38-42,44-48H,9-10,13-14H2,1-2H3/b8-5+/t15?,23?,24-,26?,27?,28?,29?,30?,31-,32+,33-,34?,35?,36-/m0/s1
InChIKey XTVZUTQNEGMNOW-GBRSIILWSA-N
Mol Weight 798.7 g/mol
Molecular Formula C36H46O20
Exact Mass 798.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdsmWAsJcDk
Name BETA-D-(3',4'-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-[BETA-D-XYLOPYRANOSYL-(1->6)]-(4-O-CAFFEOYL)-(2-O-ACETYL)-GLUCOPYRANOSIDE;PHELIPOS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H46O20
InChI InChI=1S/C36H46O20/c1-15-26(44)28(46)30(48)35(52-15)56-32-31(55-25(43)8-5-17-3-6-19(38)21(40)11-17)24(14-51-34-29(47)27(45)23(42)13-50-34)54-36(33(32)53-16(2)37)49-10-9-18-4-7-20(39)22(41)12-18/h3-8,11-12,15,23-24,26-36,38-42,44-48H,9-10,13-14H2,1-2H3/b8-5+/t15?,23?,24-,26?,27?,28?,29?,30?,31-,32+,33-,34?,35?,36-/m0/s1
InChIKey XTVZUTQNEGMNOW-GBRSIILWSA-N
Literature Reference Author C.ANDARY,G.PRIVAT,R.WYLDE,A.HEITZ
Literature Reference Citation J.NAT.PROD.,48,778(1985)
Literature Reference DOI 10.1021/np50041a010
Molecular Weight 798.749 g/mol
Solvent DMSO-D6:CF3COOH(2-DROPS)
Source File Reference UWCS3261