SpectraBase Compound ID | JkkN5BdGGfU |
---|---|
InChI | InChI=1S/C43H58O26/c1-16-26(47)28(49)33(54)42(63-16)68-37-35(56)41(61-11-10-18-4-7-20(59-2)19(45)12-18)66-24(15-62-40-32(53)29(50)27(48)23(14-44)65-40)36(37)67-25(46)9-6-17-5-8-21(60-3)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 | UVKWTNPJRGJIJT-AQZJXZTMSA-N |
Mol Weight | 990.9 g/mol |
Molecular Formula | C43H58O26 |
Exact Mass | 990.321632 g/mol |
SpectraBase Spectrum ID | 8eK9vTMCgQN |
---|---|
Name | #M2;2-(3-HYDROXY-4-METHOXYPHENYL)-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(61-11-10-18-4-7-20(59-2)19(45)12-18)66-24(15-62-40-32(53)29(50)27(48)23(14-44)65-40)36(37)67-25(46)9-6-17-5-8-21(60-3)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 | UVKWTNPJRGJIJT-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 | UWLU74089 |