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3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 6IBM4cMj6ll
InChI InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,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-/m0/s1
InChIKey XYCUSPPPIYQSLD-INWUODIGSA-N
Mol Weight 1089.2 g/mol
Molecular Formula C53H84O23
Exact Mass 1088.540339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3pn40kunJQ
Name 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O23
InChI InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-44-36(63)33(60)30(57)24(19-54)69-44)38(65)39(41(75-46)42(66)67)73-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,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-/m0/s1
InChIKey XYCUSPPPIYQSLD-INWUODIGSA-N
Literature Reference Author L.BI,X.TIAN,F.DOU,L.HONG,H.TANG,S.WANG
Literature Reference Citation FITOTERAPIA,83,234(2012)
Literature Reference DOI 10.1016/j.fitote.2011.11.002
Molecular Weight 1089.236 g/mol
Sample ID 71779
Solvent C5D5N