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#M1;2-(3-METHOXY-4-HYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-[4-[2E-3-(3-O-BETA-D-GLUCURONIC-ACID-4-METHOXYPHENYL)-2
SpectraBase Compound ID EDmU7FO8SFG
InChI InChI=1S/C43H58O26/c1-16-26(47)28(49)33(54)42(63-16)68-37-35(56)41(61-11-10-18-4-7-19(45)21(12-18)60-3)66-24(15-62-40-32(53)29(50)27(48)23(14-44)65-40)36(37)67-25(46)9-6-17-5-8-20(59-2)22(13-17)64-43-34(55)30(51)31(52)38(69-43)39(57)58/h4-9,12-13,16,23-24,26-38,40-45,47-56H,10-11,14-15H2,1-3H3,(H,57,58)/b9-6+/t16-,23+,24-,26-,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,40+,41-,42-,43-/m0/s1
InChIKey IWLCFPFWKYQABO-AQZJXZTMSA-N
Mol Weight 990.9 g/mol
Molecular Formula C43H58O26
Exact Mass 990.321632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RTk4NHXHB2
Name #M1;2-(3-METHOXY-4-HYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-[4-[2E-3-(3-O-BETA-D-GLUCURONIC-ACID-4-METHOXYPHENYL)-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H58O26
InChI InChI=1S/C43H58O26/c1-16-26(47)28(49)33(54)42(63-16)68-37-35(56)41(61-11-10-18-4-7-19(45)21(12-18)60-3)66-24(15-62-40-32(53)29(50)27(48)23(14-44)65-40)36(37)67-25(46)9-6-17-5-8-20(59-2)22(13-17)64-43-34(55)30(51)31(52)38(69-43)39(57)58/h4-9,12-13,16,23-24,26-38,40-45,47-56H,10-11,14-15H2,1-3H3,(H,57,58)/b9-6+/t16-,23+,24-,26-,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,40+,41-,42-,43-/m0/s1
InChIKey IWLCFPFWKYQABO-AQZJXZTMSA-N
Literature Reference Author C.JIA,H.SHI,W.JIN,K.ZHANG,Y.JIANG,M.ZHAO,P.TU
Literature Reference Citation DRUG.MET.DISP.,37,431(2009)
Literature Reference DOI 10.1124/dmd.108.023697
Molecular Weight 990.918 g/mol
Source File Reference UWLU74088