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3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID KmtkJP864xa
InChI InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)28(21-56)71-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-44-39(65)36(62)33(59)27(20-55)70-44)41(25(57)22-68-46)73-43-38(64)35(61)32(58)26(19-54)69-43/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41-,42?,43-,44+,45-,46-,50-,51+,52+,53-/m0/s1
InChIKey FSZGVSDOMLHPLI-ASXHKDGQSA-N
Mol Weight 1075.2 g/mol
Molecular Formula C53H86O22
Exact Mass 1074.561074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16gaY8ja8hQ
Name 3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H86O22
InChI InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)28(21-56)71-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-44-39(65)36(62)33(59)27(20-55)70-44)41(25(57)22-68-46)73-43-38(64)35(61)32(58)26(19-54)69-43/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41-,42?,43-,44+,45-,46-,50-,51+,52+,53-/m0/s1
InChIKey FSZGVSDOMLHPLI-ASXHKDGQSA-N
Literature Reference Author T.MIYASE,F.R.MELEK,O.D.EL-GINDI,S.M.ABDEL-KHALIK,M.R.EL-GIND I,M.Y.HAGGAG,S.H.HIL
Literature Reference Citation PHYTOCHEM.,41,1175(1996)
Literature Reference DOI 10.1016/0031-9422(95)00725-3
Molecular Weight 1075.253 g/mol
Solvent C5D5N
Source File Reference UWLU4302