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3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID Ihak6XILlS6
InChI InChI=1S/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-39(66)41(75-45-37(64)34(61)31(58)25(20-55)71-45)47(76-42(40)43(67)68)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-46-38(65)35(62)32(59)26(21-56)72-46/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44-,45-,46-,47+,51?,52?,53?,54-/m0/s1
InChIKey AYOUXYCHXQUGRS-AITXPUMXSA-N
Mol Weight 1103.3 g/mol
Molecular Formula C54H86O23
Exact Mass 1102.555989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sj0yCt1dNL
Name 3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O23
InChI InChI=1S/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-39(66)41(75-45-37(64)34(61)31(58)25(20-55)71-45)47(76-42(40)43(67)68)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-46-38(65)35(62)32(59)26(21-56)72-46/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44-,45-,46-,47+,51?,52?,53?,54-/m0/s1
InChIKey AYOUXYCHXQUGRS-AITXPUMXSA-N
Literature Reference Author F.R.MELEK,T.MIYASE,S.M.A.KHALIK,M.R.EL-GINDI
Literature Reference Citation PHYTOCHEM.,63,401(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00117-1
Molecular Weight 1103.263 g/mol
Solvent C5D5N
Source File Reference UWLU29740