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3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID OZkx3mk5HT
InChI InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(73-43-35(61)31(57)25(55)21-68-43)46(74-41(39)42(65)66)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24+,25+,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,50?,51?,52?,53+/m1/s1
InChIKey HTDZZYBEWFGQRB-CFFLVQQLSA-N
Mol Weight 1073.2 g/mol
Molecular Formula C53H84O22
Exact Mass 1072.545424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22xf42eI509
Name 3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O22
InChI InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)40(73-43-35(61)31(57)25(55)21-68-43)46(74-41(39)42(65)66)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24+,25+,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,50?,51?,52?,53+/m1/s1
InChIKey HTDZZYBEWFGQRB-CFFLVQQLSA-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 1073.237 g/mol
Solvent C5D5N
Source File Reference UWLU29738