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3-O-BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 5ymA8omPVVC
InChI InChI=1S/C52H82O22/c1-46(2)14-16-51(45(65)74-42-34(60)32(58)31(57)26(19-53)69-42)17-15-49(6)23(24(51)18-46)8-9-28-48(5)12-11-29(47(3,4)27(48)10-13-50(28,49)7)70-43-37(72-41-33(59)30(56)25(55)20-67-41)35(61)36(38(73-43)40(63)64)71-44-39(62)52(66,21-54)22-68-44/h8,24-39,41-44,53-62,66H,9-22H2,1-7H3,(H,63,64)/t24-,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,41-,42-,43+,44+,48?,49?,50?,51-,52-/m0/s1
InChIKey ONUNLZYESYXULR-JOBSGNHOSA-N
Mol Weight 1059.2 g/mol
Molecular Formula C52H82O22
Exact Mass 1058.529774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9jIE8DfiiX
Name 3-O-BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H82O22
InChI InChI=1S/C52H82O22/c1-46(2)14-16-51(45(65)74-42-34(60)32(58)31(57)26(19-53)69-42)17-15-49(6)23(24(51)18-46)8-9-28-48(5)12-11-29(47(3,4)27(48)10-13-50(28,49)7)70-43-37(72-41-33(59)30(56)25(55)20-67-41)35(61)36(38(73-43)40(63)64)71-44-39(62)52(66,21-54)22-68-44/h8,24-39,41-44,53-62,66H,9-22H2,1-7H3,(H,63,64)/t24-,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,41-,42-,43+,44+,48?,49?,50?,51-,52-/m0/s1
InChIKey ONUNLZYESYXULR-JOBSGNHOSA-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 1059.210 g/mol
Solvent C5D5N
Source File Reference UWLU29742